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

Systemtic Name: (4S)-3-[(2R)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2R)-1-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethanoyl]-2-ethyl-cyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (4S)-3-[(2R)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2R)-1-[2-(cyclopropylmethylamino)-2-oxo-acetyl]-2-ethyl-cyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (4S)-3-[(2R)-2-[[[[1-(tert-butylsulfonylmethyl)cyclohexyl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[(2R)-1-[2-(cyclopropylmethylamino)-1,2-dioxoethyl]-2-ethylcyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (4S)-3-[(2R)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[(2R)-1-[2-(cyclopropylmethylamino)-2-oxoacetyl]-2-ethylcyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (4S)-3-[(2R)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[(2R)-1-[2-(cyclopropylmethylamino)-2-keto-acetyl]-2-ethyl-cyclopropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C37H61N5O7S MolecularWeight: 719.97454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC1(C(=O)C(=O)NCC2CC2)NC(=O)C3C4C(C4(C)C)CN3C(=O)C(C(C)(C)C)NC(=O)NC5(CCCCC5)CS(=O)(=O)C(C)(C)C

Isomeric SMILES

CC[C@@H]1CC1(C(=O)C(=O)NCC2CC2)NC(=O)[C@@H]3C4C(C4(C)C)CN3C(=O)[C@@H](C(C)(C)C)NC(=O)NC5(CCCCC5)CS(=O)(=O)C(C)(C)C

InChI

InChI=1S/C37H61N5O7S/c1-10-23-18-37(23,28(43)30(45)38-19-22-14-15-22)40-29(44)26-25-24(35(25,8)9)20-42(26)31(46)27(33(2,3)4)39-32(47)41-36(16-12-11-13-17-36)21-50(48,49)34(5,6)7/h22-27H,10-21H2,1-9H3,(H,38,45)(H,40,44)(H2,39,41,47)/t23-,24?,25?,26+,27+,37?/m1/s1