(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide (Q27463877)

SCHEMBL10310675 (English)

19 October 2016

chemical formula

C₃₆H₆₃N₅O₇S

1 reference

SCHEMBL10310675 (English)

19 October 2016

canonical SMILES

CCCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C

1 reference

SCHEMBL10310675 (English)

19 October 2016

isomeric SMILES

CCCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C

1 reference

SCHEMBL10310675 (English)

InChI=1S/C36H63N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-28,42H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,27+,28+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL10310675 (English)

BZXRATSZUNDEEV-FZFXNXQRSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL10310675 (English)

19 October 2016

1 reference

(1R,2S,5S)-N-[(2R,3S)-1-(Cyclopropylamino)-2-hydroxy-1-oxo-3-heptanyl]-6,6-dimethyl-3-{3-methyl-N-[(1-{[(2-methyl-2-propanyl)sulfonyl]methyl}cyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2- (English)

19 October 2016

2 references