(4S)-N-[1-cyclopropyl-3,4-bis(oxidanylidene)-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[(2S)-2-(1-methylcyclohexyl)-2-(phenylsulfonylamino)ethanoyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (4S)-N-[1-cyclopropyl-3,4-bis(oxidanylidene)-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[(2S)-2-(1-methylcyclohexyl)-2-(phenylsulfonylamino)ethanoyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (4S)-N-[3-(allylamino)-1-(cyclopropylmethyl)-2,3-dioxo-propyl]-3-[(2S)-2-[[(2S)-2-(benzenesulfonamido)-2-(1-methylcyclohexyl)acetyl]amino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (4S)-3-[(2S)-2-[[(2S)-2-(benzenesulfonamido)-2-(1-methylcyclohexyl)-1-oxoethyl]amino]-3,3-dimethyl-1-oxobutyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (4S)-3-[(2S)-2-[[(2S)-2-(benzenesulfonamido)-2-(1-methylcyclohexyl)acetyl]amino]-3,3-dimethylbutanoyl]-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (4S)-N-[3-(allylamino)-1-(cyclopropylmethyl)-2,3-diketo-propyl]-3-[(2S)-2-[[(2S)-2-(benzenesulfonamido)-2-(1-methylcyclohexyl)acetyl]amino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C39H57N5O7S MolecularWeight: 739.96418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(C3(CCCCC3)C)NS(=O)(=O)C4=CC=CC=C4)C(=O)NC(CC5CC5)C(=O)C(=O)NCC=C)C

Isomeric SMILES

CC1(C2C1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C3(CCCCC3)C)NS(=O)(=O)C4=CC=CC=C4)C(=O)NC(CC5CC5)C(=O)C(=O)NCC=C)C

InChI

InChI=1S/C39H57N5O7S/c1-8-21-40-34(47)30(45)27(22-24-17-18-24)41-33(46)29-28-26(38(28,5)6)23-44(29)36(49)32(37(2,3)4)42-35(48)31(39(7)19-13-10-14-20-39)43-52(50,51)25-15-11-9-12-16-25/h8-9,11-12,15-16,24,26-29,31-32,43H,1,10,13-14,17-23H2,2-7H3,(H,40,47)(H,41,46)(H,42,48)/t26?,27?,28?,29-,31+,32+/m0/s1