(1S,4S,5R)-N-[4-azanyl-1-cyclopropyl-3,4-bis(oxidanylidene)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(phenylsulfonylmethyl)cyclopentyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide

Systemtic Name: (1S,4S,5R)-N-[4-azanyl-1-cyclopropyl-3,4-bis(oxidanylidene)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[1-(phenylsulfonylmethyl)cyclopentyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Openeye Name: (1S,4S,5R)-N-[3-amino-1-(cyclopropylmethyl)-2,3-dioxo-propyl]-3-[(2S)-2-[[1-(benzenesulfonylmethyl)cyclopentyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide CAS Name: (1S,4S,5R)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[[[1-(benzenesulfonylmethyl)cyclopentyl]amino]-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide IUPAC Name: (1S,4S,5R)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-2-[[1-(benzenesulfonylmethyl)cyclopentyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Traditional Name: (1S,4S,5R)-N-[3-amino-1-(cyclopropylmethyl)-2,3-diketo-propyl]-3-[(2S)-2-[[1-(besylmethyl)cyclopentyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C34H49N5O7S MolecularWeight: 671.84716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCC3)CS(=O)(=O)C4=CC=CC=C4)C(=O)NC(CC5CC5)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(CCCC3)CS(=O)(=O)C4=CC=CC=C4)C(=O)NC(CC5CC5)C(=O)C(=O)N)C

InChI

InChI=1S/C34H49N5O7S/c1-32(2,3)27(37-31(44)38-34(15-9-10-16-34)19-47(45,46)21-11-7-6-8-12-21)30(43)39-18-22-24(33(22,4)5)25(39)29(42)36-23(17-20-13-14-20)26(40)28(35)41/h6-8,11-12,20,22-25,27H,9-10,13-19H2,1-5H3,(H2,35,41)(H,36,42)(H2,37,38,44)/t22-,23?,24-,25-,27+/m0/s1