5478883 -OEChem-10101305032D 111110 0 1 0 0 0 0 0999 V2000 12.0632 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9292 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.7500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1972 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0632 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3312 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.7500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6613 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2594 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8574 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7235 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4555 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5398 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1413 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5957 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7987 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8872 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5072 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1254 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3513 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9713 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0833 -2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9303 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7033 -1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9914 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5694 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9494 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3014 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5284 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6814 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9791 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2191 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3249 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1220 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2095 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5895 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9695 0.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1455 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9925 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7655 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 1 81 1 0 0 0 0 26 2 1 1 0 0 0 2101 1 0 0 0 0 3 23 2 0 0 0 0 4 30 2 0 0 0 0 5 32 2 0 0 0 0 6 37 2 0 0 0 0 7 45 1 0 0 0 0 7111 1 0 0 0 0 8 43 2 0 0 0 0 9 45 2 0 0 0 0 15 10 1 6 0 0 0 10 23 1 0 0 0 0 10 55 1 0 0 0 0 19 11 1 1 0 0 0 11 32 1 0 0 0 0 11 70 1 0 0 0 0 20 12 1 6 0 0 0 12 37 1 0 0 0 0 12 72 1 0 0 0 0 13 30 1 0 0 0 0 33 13 1 1 0 0 0 13 84 1 0 0 0 0 29 14 1 6 0 0 0 14 43 1 0 0 0 0 14 91 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 16 18 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 21 1 0 0 0 0 17 52 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 53 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 54 1 0 0 0 0 20 24 1 0 0 0 0 20 26 1 0 0 0 0 20 56 1 0 0 0 0 21 30 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 59 1 0 0 0 0 24 25 1 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 62 1 0 0 0 0 26 36 1 0 0 0 0 26 63 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 71 1 0 0 0 0 31 40 1 0 0 0 0 31 41 1 0 0 0 0 31 73 1 0 0 0 0 33 37 1 0 0 0 0 33 42 1 0 0 0 0 33 74 1 0 0 0 0 34 75 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 35 80 1 0 0 0 0 36 45 1 0 0 0 0 36 82 1 0 0 0 0 36 83 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 38 87 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 40 95 1 0 0 0 0 40 96 1 0 0 0 0 40 97 1 0 0 0 0 41 92 1 0 0 0 0 41 93 1 0 0 0 0 41 94 1 0 0 0 0 42 98 1 0 0 0 0 42 99 1 0 0 0 0 42100 1 0 0 0 0 43 44 1 0 0 0 0 44 46 1 0 0 0 0 44102 1 0 0 0 0 44103 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46104 1 0 0 0 0 47108 1 0 0 0 0 47109 1 0 0 0 0 47110 1 0 0 0 0 48105 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 M END > 5478883 > 1 > 1060 > 9 > 8 > 22 > AAADcfB/vAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADTzhgAYCCALAAgAIAAGQGAAAAAAAAAAAAIGIAAACUBYAgCAUQAAHNgCQAAG8yGCMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methyl-heptanoic acid > (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-1-oxobutyl]amino]-1-oxoheptyl]amino]-1-oxopropyl]amino]-6-methylheptanoic acid > (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid > (3S,4S)-6-methyl-4-[[(2S)-2-[[(3S,4S)-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]-3-oxidanyl-heptanoyl]amino]propanoyl]amino]-3-oxidanyl-heptanoic acid > (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-4-[[(2S)-2-[[(2S)-2-(isovalerylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-6-methyl-heptanoyl]amino]propanoyl]amino]-6-methyl-enanthic acid > InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1 > FAXGPCHRFPCXOO-LXTPJMTPSA-N > 3 > 685.462579 > C34H63N5O9 > 685.89212 > CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O > C[C@@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)O > 223 > 685.462579 > 0 > 48 > 7 > 0 > 0 > 0 > 0 > 1 > 32 > 1 5 255 > 17 1 5 15 10 6 19 11 5 20 12 6 33 13 5 29 14 6 26 2 5 $$$$