(1S,4S,5R)-N-[4-azanyl-1-cyclopropyl-3,4-bis(oxidanylidene)butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[[1-[oxidanyl(phenyl)methyl]cyclohexyl]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-[oxidanyl(phenyl)methyl]cyclohexyl]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-[hydroxy(phenyl)methyl]cyclohexyl]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-[hydroxy(phenyl)methyl]cyclohexyl]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-[hydroxy(phenyl)methyl]cyclohexyl]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-[hydroxy(phenyl)methyl]cyclohexyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-carboxamide Formula: C35H51N5O6 MolecularWeight: 637.80934

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)C(C4=CC=CC=C4)O)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(CCCCC3)C(C4=CC=CC=C4)O)C(=O)NC(CC5CC5)C(=O)C(=O)N)C

InChI

InChI=1S/C35H51N5O6/c1-33(2,3)27(38-32(46)39-35(16-10-7-11-17-35)28(42)21-12-8-6-9-13-21)31(45)40-19-22-24(34(22,4)5)25(40)30(44)37-23(18-20-14-15-20)26(41)29(36)43/h6,8-9,12-13,20,22-25,27-28,42H,7,10-11,14-19H2,1-5H3,(H2,36,43)(H,37,44)(H2,38,39,46)/t22-,23?,24-,25-,27+,28?/m0/s1