71349 -OEChem-10101305032D 146151 0 1 0 0 0 0 0999 V2000 7.7331 -0.1216 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3784 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -4.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 1.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -3.1216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.6216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6092 -1.2414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4736 -7.4727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.3784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.1216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -2.6216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0752 -4.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.6216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4324 -4.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1575 -1.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2178 -1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7744 -5.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.6216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9446 -0.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.9292 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3942 -1.8513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1316 -6.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 -0.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.3784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4731 0.5100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 0.5764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.8784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0021 1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0026 1.4253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 1.3784 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6613 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 5.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 6.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8392 6.3853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0472 7.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8473 7.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9452 7.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3157 -3.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4737 -4.5362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6121 -3.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8390 -2.2660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0338 -4.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8954 -5.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7775 -1.6368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2652 -1.0262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -2.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1729 -6.2420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -5.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -3.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -1.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -2.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 -3.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -4.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -4.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 -1.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 -0.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5307 -0.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3736 -2.4710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 -6.0581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5947 -6.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 -1.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1800 -1.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0928 0.4895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8545 0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 -0.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 -0.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 1.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3297 1.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.6884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0751 -7.9477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0842 -7.5804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 1.9723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -2.9316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 2.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6738 3.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0643 -1.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -3.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0230 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 4.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3726 6.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5067 7.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -2.8116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3854 7.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9428 8.5677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 2 53 1 0 0 0 0 3 31 2 0 0 0 0 4 32 2 0 0 0 0 5 35 2 0 0 0 0 6 40 2 0 0 0 0 7 49 2 0 0 0 0 8 50 2 0 0 0 0 9 58 1 0 0 0 0 9138 1 0 0 0 0 10 61 2 0 0 0 0 11 63 2 0 0 0 0 12 68 1 0 0 0 0 12144 1 0 0 0 0 13 24 1 0 0 0 0 13 32 1 0 0 0 0 13 88 1 0 0 0 0 14 25 1 0 0 0 0 14 31 1 0 0 0 0 14 89 1 0 0 0 0 15 28 1 0 0 0 0 15 40 1 0 0 0 0 15 92 1 0 0 0 0 16 35 1 0 0 0 0 16 41 1 0 0 0 0 16101 1 0 0 0 0 17 36 1 0 0 0 0 17 49 1 0 0 0 0 17107 1 0 0 0 0 18 43 1 0 0 0 0 18 45 1 0 0 0 0 18108 1 0 0 0 0 19 50 1 0 0 0 0 19 54 1 0 0 0 0 19117 1 0 0 0 0 20 46 1 0 0 0 0 20 61 1 0 0 0 0 20119 1 0 0 0 0 21 44 1 0 0 0 0 21120 1 0 0 0 0 21121 1 0 0 0 0 22 57 1 0 0 0 0 22134 1 0 0 0 0 22135 1 0 0 0 0 23 63 1 0 0 0 0 23140 1 0 0 0 0 23141 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 24 78 1 0 0 0 0 25 27 1 0 0 0 0 25 35 1 0 0 0 0 25 79 1 0 0 0 0 26 29 1 0 0 0 0 26 80 1 0 0 0 0 26 81 1 0 0 0 0 27 37 1 0 0 0 0 27 38 1 0 0 0 0 27 82 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 28 83 1 0 0 0 0 29 34 1 0 0 0 0 29 84 1 0 0 0 0 29 85 1 0 0 0 0 30 33 1 0 0 0 0 30 86 1 0 0 0 0 30 87 1 0 0 0 0 33 39 1 0 0 0 0 33 43 2 0 0 0 0 34 44 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 36 40 1 0 0 0 0 36 42 1 0 0 0 0 36 93 1 0 0 0 0 37 97 1 0 0 0 0 37 98 1 0 0 0 0 37 99 1 0 0 0 0 38 94 1 0 0 0 0 38 95 1 0 0 0 0 38 96 1 0 0 0 0 39 45 1 0 0 0 0 39 48 2 0 0 0 0 41 47 1 0 0 0 0 41 50 1 0 0 0 0 41100 1 0 0 0 0 42 51 1 0 0 0 0 42102 1 0 0 0 0 42103 1 0 0 0 0 43104 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 45 52 2 0 0 0 0 46 49 1 0 0 0 0 46 53 1 0 0 0 0 46109 1 0 0 0 0 47110 1 0 0 0 0 47111 1 0 0 0 0 48 55 1 0 0 0 0 48112 1 0 0 0 0 51 59 2 0 0 0 0 51 60 1 0 0 0 0 52 56 1 0 0 0 0 52113 1 0 0 0 0 53114 1 0 0 0 0 53115 1 0 0 0 0 54 58 1 0 0 0 0 54 63 1 0 0 0 0 54116 1 0 0 0 0 55 56 2 0 0 0 0 55118 1 0 0 0 0 56122 1 0 0 0 0 57 61 1 0 0 0 0 57 62 1 0 0 0 0 57123 1 0 0 0 0 58 67 1 0 0 0 0 58124 1 0 0 0 0 59 65 1 0 0 0 0 59125 1 0 0 0 0 60 66 2 0 0 0 0 60126 1 0 0 0 0 62 64 1 0 0 0 0 62127 1 0 0 0 0 62128 1 0 0 0 0 64 69 2 0 0 0 0 64 70 1 0 0 0 0 65 68 2 0 0 0 0 65129 1 0 0 0 0 66 68 1 0 0 0 0 66130 1 0 0 0 0 67131 1 0 0 0 0 67132 1 0 0 0 0 67133 1 0 0 0 0 69 71 1 0 0 0 0 69136 1 0 0 0 0 70 73 2 0 0 0 0 70137 1 0 0 0 0 71 72 1 0 0 0 0 71 74 2 0 0 0 0 72 73 1 0 0 0 0 72 75 2 0 0 0 0 73139 1 0 0 0 0 74 76 1 0 0 0 0 74142 1 0 0 0 0 75 77 1 0 0 0 0 75143 1 0 0 0 0 76 77 2 0 0 0 0 76145 1 0 0 0 0 77146 1 0 0 0 0 M END > 71349 > 1 > 2000 > 14 > 13 > 17 > AAADcfB//ABgAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFjB9AAAHgQQCAAADTzl3ga+xvLJkgCoAzV3VACCgCAxIiAI2aG+bJgKdvbCkbOUcAhm9hHY2AeYyeCO4AACAAASAADAAAQAACQAAAAAAAAAAA== > 10-(4-aminobutyl)-19-[[2-amino-3-(2-naphthyl)propanoyl]amino]-N-(1-carbamoyl-2-hydroxy-propyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide > 10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[[2-amino-3-(2-naphthalenyl)-1-oxopropyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide > 10-(4-aminobutyl)-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-naphthalen-2-ylpropanoyl)amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide > 10-(4-azanylbutyl)-19-[(2-azanyl-3-naphthalen-2-yl-propanoyl)amino]-N-(1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentakis(oxidanylidene)-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide > 10-(4-aminobutyl)-19-[[2-amino-3-(2-naphthyl)propanoyl]amino]-N-(1-carbamoyl-2-hydroxy-propyl)-16-(4-hydroxybenzyl)-13-(1H-indol-3-ylmethyl)-7-isopropyl-6,9,12,15,18-pentaketo-1,2-dithia-5,8,11,14,17-pentazacycloeicosane-4-carboxamide > InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74) > PUDHBTGHUJUUFI-UHFFFAOYSA-N > 2.5 > 1095.467029 > C54H69N11O10S2 > 1096.32336 > CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N > CC(C)C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)N)C(=O)NC(C(C)O)C(=O)N > 406 > 1095.467029 > 0 > 77 > 0 > 9 > 0 > 0 > 0 > 1 > 996 > 1 5 255 > 18 43 8 18 45 8 46 20 3 57 22 3 24 26 3 25 27 3 28 30 3 33 39 8 33 43 8 36 42 3 39 45 8 39 48 8 41 50 3 45 52 8 48 55 8 51 59 8 51 60 8 52 56 8 54 63 3 55 56 8 59 65 8 60 66 8 64 69 8 64 70 8 65 68 8 66 68 8 69 71 8 70 73 8 71 72 8 71 74 8 72 73 8 72 75 8 74 76 8 75 77 8 76 77 8 58 9 3 $$$$