(1S,4S,5R)-N-[4-azanyl-1-cyclobutyl-3,4-bis(oxidanylidene)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-N-[4-azanyl-1-cyclobutyl-3,4-bis(oxidanylidene)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxo-propyl]-3-[(2S)-3,3-dimethyl-2-[[1-(2-pyridylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-1-oxo-2-[[oxo-[[1-(2-pyridinylsulfonylmethyl)cyclohexyl]amino]methyl]amino]butyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-2-ylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-N-[3-amino-1-(cyclobutylmethyl)-2,3-diketo-propyl]-3-[(2S)-3,3-dimethyl-2-[[1-(2-pyridylsulfonylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C35H52N6O7S MolecularWeight: 700.88838

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)CS(=O)(=O)C4=CC=CC=N4)C(=O)NC(CC5CCC5)C(=O)C(=O)N)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)C4=CC=CC=N4)C(=O)NC(CC5CCC5)C(=O)C(=O)N)C

InChI

InChI=1S/C35H52N6O7S/c1-33(2,3)28(39-32(46)40-35(15-8-6-9-16-35)20-49(47,48)24-14-7-10-17-37-24)31(45)41-19-22-25(34(22,4)5)26(41)30(44)38-23(27(42)29(36)43)18-21-12-11-13-21/h7,10,14,17,21-23,25-26,28H,6,8-9,11-13,15-16,18-20H2,1-5H3,(H2,36,43)(H,38,44)(H2,39,40,46)/t22-,23?,25-,26-,28+/m0/s1