(4S)-N-[1-[2-(cyclopropylamino)-2-oxidanylidene-ethanoyl]cyclopropyl]-3-[(2R)-2-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (4S)-N-[1-[2-(cyclopropylamino)-2-oxidanylidene-ethanoyl]cyclopropyl]-3-[(2R)-2-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (4S)-N-[1-[2-(cyclopropylamino)-2-oxo-acetyl]cyclopropyl]-3-[(2R)-2-[[(1S)-2,2-dimethyl-1-[[methyl(methylsulfonyl)amino]methyl]propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (4S)-N-[1-[2-(cyclopropylamino)-1,2-dioxoethyl]cyclopropyl]-3-[(2R)-2-[[[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (4S)-N-[1-[2-(cyclopropylamino)-2-oxoacetyl]cyclopropyl]-3-[(2R)-2-[[(2S)-3,3-dimethyl-1-[methyl(methylsulfonyl)amino]butan-2-yl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (4S)-N-[1-[2-(cyclopropylamino)-2-keto-acetyl]cyclopropyl]-3-[(2R)-2-[[(1S)-1-[[mesyl(methyl)amino]methyl]-2,2-dimethyl-propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C31H52N6O7S MolecularWeight: 652.84558

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(CN(C)S(=O)(=O)C)C(C)(C)C)C(=O)NC3(CC3)C(=O)C(=O)NC4CC4)C

Isomeric SMILES

CC1(C2C1[C@H](N(C2)C(=O)[C@@H](C(C)(C)C)NC(=O)N[C@H](CN(C)S(=O)(=O)C)C(C)(C)C)C(=O)NC3(CC3)C(=O)C(=O)NC4CC4)C

InChI

InChI=1S/C31H52N6O7S/c1-28(2,3)19(16-36(9)45(10,43)44)33-27(42)34-22(29(4,5)6)26(41)37-15-18-20(30(18,7)8)21(37)24(39)35-31(13-14-31)23(38)25(40)32-17-11-12-17/h17-22H,11-16H2,1-10H3,(H,32,40)(H,35,39)(H2,33,34,42)/t18?,19-,20?,21+,22+/m1/s1