(1S,4S,5R)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[1-(2-methoxyethylamino)-1,2-bis(oxidanylidene)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[1-(2-methoxyethylamino)-1,2-bis(oxidanylidene)hept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[1-[2-(2-methoxyethylamino)-2-oxo-acetyl]pent-4-ynyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-3-[(2S)-2-[[[[1-(tert-butylsulfonylmethyl)cyclohexyl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1-(2-methoxyethylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-N-[1-(2-methoxyethylamino)-1,2-dioxohept-6-yn-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-3-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-N-[1-[2-keto-2-(2-methoxyethylamino)acetyl]pent-4-ynyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C36H59N5O8S MolecularWeight: 721.94736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CCC#C)C(=O)C(=O)NCCOC)C

Isomeric SMILES

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CCC#C)C(=O)C(=O)NCCOC)C

InChI

InChI=1S/C36H59N5O8S/c1-11-12-16-24(27(42)30(44)37-19-20-49-10)38-29(43)26-25-23(35(25,8)9)21-41(26)31(45)28(33(2,3)4)39-32(46)40-36(17-14-13-15-18-36)22-50(47,48)34(5,6)7/h1,23-26,28H,12-22H2,2-10H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24?,25-,26-,28+/m0/s1