(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-(1,3-thiazol-2-ylsulfonylamino)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-(1,3-thiazol-2-ylsulfonylamino)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)-3,3-dimethyl-2-[[(2S)-2-(1-methylcyclohexyl)-2-(thiazol-2-ylsulfonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (4S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[(2S)-2-(1-methylcyclohexyl)-1-oxo-2-(2-thiazolylsulfonylamino)ethyl]amino]-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (4S)-N-[1-cyclopropyl-3,4-dioxo-4-(prop-2-enylamino)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[(2S)-2-(1-methylcyclohexyl)-2-(1,3-thiazol-2-ylsulfonylamino)acetyl]amino]butanoyl]-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)-3,3-dimethyl-2-[[(2S)-2-(1-methylcyclohexyl)-2-(thiazol-2-ylsulfonylamino)acetyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C36H54N6O7S2 MolecularWeight: 746.97996

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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=NC=CS4)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=NC=CS4)C(=O)NC(CC5CC5)C(=O)C(=O)NCC=C)C

InChI

InChI=1S/C36H54N6O7S2/c1-8-16-37-30(45)26(43)23(19-21-12-13-21)39-29(44)25-24-22(35(24,5)6)20-42(25)32(47)28(34(2,3)4)40-31(46)27(36(7)14-10-9-11-15-36)41-51(48,49)33-38-17-18-50-33/h8,17-18,21-25,27-28,41H,1,9-16,19-20H2,2-7H3,(H,37,45)(H,39,44)(H,40,46)/t22?,23?,24?,25-,27+,28+/m0/s1