60192569
  -OEChem-05062413062D

 72 76  0     1  0  0  0  0  0999 V2000
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    3.8856   -2.1794    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1 56  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60192569

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
964

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAeIAAAAsQIAABYAAAACAAAAAHgAQCAAADSjhgAYCAAPABgCIAiVSUACAAAAgAgAACIEIAEgKUBoAwQAVQAAGlgCYgYO+mYKOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1S,9R,10R,11R)-5-(cyclohexen-1-yl)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-N-(2-methoxyethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1S,9R,10R,11R)-5-(1-cyclohexenyl)-12-[cyclopentyl(oxo)methyl]-10-(hydroxymethyl)-N-(2-methoxyethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>,9<I>R</I>,10<I>R</I>,11<I>R</I>)-5-(cyclohexen-1-yl)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-<I>N</I>-(2-methoxyethyl)-6-oxo-7,12-diazatricyclo[7.2.1.0<SUP>2,7</SUP>]dodeca-2,4-diene-11-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1S,9R,10R,11R)-5-(cyclohexen-1-yl)-12-(cyclopentanecarbonyl)-10-(hydroxymethyl)-N-(2-methoxyethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S,9R,10R,11R)-5-(cyclohexen-1-yl)-12-cyclopentylcarbonyl-10-(hydroxymethyl)-N-(2-methoxyethyl)-6-oxidanylidene-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1S,9R,10R,11R)-5-(cyclohexen-1-yl)-12-(cyclopentanecarbonyl)-6-keto-N-(2-methoxyethyl)-10-methylol-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H37N3O5/c1-35-14-13-28-25(32)23-20(16-31)22-15-29-21(24(23)30(22)26(33)18-9-5-6-10-18)12-11-19(27(29)34)17-7-3-2-4-8-17/h7,11-12,18,20,22-24,31H,2-6,8-10,13-16H2,1H3,(H,28,32)/t20-,22-,23+,24+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
FNFXKOVNMHKFFM-IQFVJIFQSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
483.27332129

> <PUBCHEM_MOLECULAR_FORMULA>
C27H37N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
483.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCNC(=O)C1C(C2CN3C(=CC=C(C3=O)C4=CCCCC4)C1N2C(=O)C5CCCC5)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCNC(=O)[C@@H]1[C@H]([C@@H]2CN3C(=CC=C(C3=O)C4=CCCCC4)[C@H]1N2C(=O)C5CCCC5)CO

> <PUBCHEM_CACTVS_TPSA>
99.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
483.27332129

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  5
11  38  5
12  18  6
14  21  8
21  26  8
22  25  8
25  26  8
7  14  8
7  22  8
9  36  6

$$$$