(4S)-3-[(2R)-2-[[1-[(1R)-1-tert-butylsulfonylethyl]cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2R)-2-ethyl-1-[2-(ethylamino)-2-oxidanylidene-ethanoyl]cyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (4S)-3-[(2R)-2-[[1-[(1R)-1-tert-butylsulfonylethyl]cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2R)-2-ethyl-1-[2-(ethylamino)-2-oxidanylidene-ethanoyl]cyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (4S)-3-[(2R)-2-[[1-[(1R)-1-tert-butylsulfonylethyl]cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2R)-2-ethyl-1-[2-(ethylamino)-2-oxo-acetyl]cyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (4S)-3-[(2R)-2-[[[[1-[(1R)-1-tert-butylsulfonylethyl]cyclohexyl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[(2R)-2-ethyl-1-[2-(ethylamino)-1,2-dioxoethyl]cyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (4S)-3-[(2R)-2-[[1-[(1R)-1-tert-butylsulfonylethyl]cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(2R)-2-ethyl-1-[2-(ethylamino)-2-oxoacetyl]cyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (4S)-3-[(2R)-2-[[1-[(1R)-1-tert-butylsulfonylethyl]cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2R)-2-ethyl-1-[2-(ethylamino)-2-keto-acetyl]cyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C36H61N5O7S MolecularWeight: 707.96384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC1(C(=O)C(=O)NCC)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)C(C)S(=O)(=O)C(C)(C)C

Isomeric SMILES

CC[C@@H]1CC1(C(=O)C(=O)NCC)NC(=O)[C@@H]2C3C(C3(C)C)CN2C(=O)[C@@H](C(C)(C)C)NC(=O)NC4(CCCCC4)[C@@H](C)S(=O)(=O)C(C)(C)C

InChI

InChI=1S/C36H61N5O7S/c1-12-22-19-36(22,27(42)29(44)37-13-2)39-28(43)25-24-23(34(24,10)11)20-41(25)30(45)26(32(4,5)6)38-31(46)40-35(17-15-14-16-18-35)21(3)49(47,48)33(7,8)9/h21-26H,12-20H2,1-11H3,(H,37,44)(H,39,43)(H2,38,40,46)/t21-,22-,23?,24?,25+,26+,36?/m1/s1