(1S,4S,5R)-3-[(2S)-2-[[1-[[tert-butyl(methyl)sulfamoyl]methyl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)ethanoyl]-N-[(2S)-1-cyclopropyl-4-(cyclopropylamino)-3,4-bis(oxidanylidene)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-3-[(2S)-2-[[1-[[tert-butyl(methyl)sulfamoyl]methyl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)ethanoyl]-N-[(2S)-1-cyclopropyl-4-(cyclopropylamino)-3,4-bis(oxidanylidene)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-3-[(2S)-2-[[1-[[tert-butyl(methyl)sulfamoyl]methyl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[(1S)-3-(cyclopropylamino)-1-(cyclopropylmethyl)-2,3-dioxo-propyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-3-[(2S)-2-[[[[1-[[tert-butyl(methyl)sulfamoyl]methyl]cyclohexyl]amino]-oxomethyl]amino]-2-(1-methylcyclohexyl)-1-oxoethyl]-N-[(2S)-1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-3-[(2S)-2-[[1-[[tert-butyl(methyl)sulfamoyl]methyl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[(2S)-1-cyclopropyl-4-(cyclopropylamino)-3,4-dioxobutan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-3-[(2S)-2-[[1-[[tert-butyl(methyl)sulfamoyl]methyl]cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-[(1S)-3-(cyclopropylamino)-1-(cyclopropylmethyl)-2,3-diketo-propyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C40H66N6O7S MolecularWeight: 775.05304

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C3(CCCCC3)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)N(C)C(C)(C)C)C(=O)NC(CC5CC5)C(=O)C(=O)NC6CC6)C

Isomeric SMILES

CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3(CCCCC3)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)N(C)C(C)(C)C)C(=O)N[C@@H](CC5CC5)C(=O)C(=O)NC6CC6)C

InChI

InChI=1S/C40H66N6O7S/c1-37(2,3)45(7)54(52,53)24-40(20-12-9-13-21-40)44-36(51)43-32(39(6)18-10-8-11-19-39)35(50)46-23-27-29(38(27,4)5)30(46)33(48)42-28(22-25-14-15-25)31(47)34(49)41-26-16-17-26/h25-30,32H,8-24H2,1-7H3,(H,41,49)(H,42,48)(H2,43,44,51)/t27-,28-,29-,30-,32+/m0/s1