6914621
  -OEChem-10101305032D

 59 62  0     1  0  0  0  0  0999 V2000
    4.5388   -1.0998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    2.0912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6759   -4.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5780   -5.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -2.8599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701   -4.4561    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171    5.5912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -1.9088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6420   -2.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4511   -3.4477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511   -1.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -0.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2111   -3.1689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0850   -0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171   -0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9511    1.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171    2.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171    3.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511    4.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6831    5.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5770    3.5565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5770    5.6258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4831    4.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0850    5.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4831    5.1120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0756   -2.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3320   -3.3968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0362   -3.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8659   -3.9084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1916   -1.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103   -1.4082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8084   -2.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0822   -2.5625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481   -0.7188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540   -0.7188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3691   -2.9605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4150   -2.0849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394   -2.0390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5481    0.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3540    0.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8308   -4.0412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0291    2.0086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4277    2.6988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1677   -5.6258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4141    3.7812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5699    2.9365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0188    3.7583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5481    5.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750    5.0542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3 18  2  0  0  0  0
  4  6  1  0  0  0  0
  4 51  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 18  1  0  0  0  0
  6 48  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  6  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 12 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 17  1  6  0  0  0
 14 18  1  0  0  0  0
 14 40  1  0  0  0  0
 15 19  1  0  0  0  0
 15 41  1  0  0  0  0
 16 20  2  0  0  0  0
 16 42  1  0  0  0  0
 17 43  1  0  0  0  0
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 22 23  1  0  0  0  0
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 29 32  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
6914621

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
680

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx9AAAHgAUCAAADizhngYyxvNYFACoAyVyVACCiCAhIiAomCG+bJgMZvLEtbuWOCjk1hHI6Ae8yPCPoAAAAAACAABAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-2-[(3S)-3-methyl-3-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]-2-oxo-pyrrolidin-1-yl]propanehydroxamic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-2-oxo-1-pyrrolidinyl]propanamide

> <PUBCHEM_IUPAC_NAME>
(2R)-N-hydroxy-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-2-[(3S)-3-methyl-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxidanylidene-pyrrolidin-1-yl]-N-oxidanyl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-2-[(3S)-2-keto-3-methyl-3-[4-[(2-methyl-4-quinolyl)methoxy]phenyl]pyrrolidino]propanehydroxamic acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H27N3O4/c1-16-14-18(21-6-4-5-7-22(21)26-16)15-32-20-10-8-19(9-11-20)25(3)12-13-28(24(25)30)17(2)23(29)27-31/h4-11,14,17,31H,12-13,15H2,1-3H3,(H,27,29)/t17-,25+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YDMIPBHQKFOFQW-NSYGIPOTSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
433.200156

> <PUBCHEM_MOLECULAR_FORMULA>
C25H27N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
433.49958

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C4(CCN(C4=O)C(C)C(=O)NO)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)[C@@]4(CCN(C4=O)[C@H](C)C(=O)NO)C

> <PUBCHEM_CACTVS_TPSA>
91.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
433.200156

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  15  8
12  16  8
14  17  6
15  19  8
16  20  8
19  21  8
20  21  8
23  24  8
23  25  8
24  26  8
24  28  8
25  27  8
26  29  8
28  30  8
29  32  8
30  32  8
7  26  8
7  27  8
8  13  6

$$$$