3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-2-phenoxy-propanoic acid

Systemtic Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-2-phenoxy-propanoic acid Openeye Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-2-phenoxy-propanoic acid CAS Name: 3-[[[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-2-methyl-2-phenoxypropanoic acid IUPAC Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-2-phenoxypropanoic acid Traditional Name: 3-[[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-2-phenoxy-propionic acid Formula: C32H42N4O6 MolecularWeight: 578.69908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NCC(C)(C(=O)O)OC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NCC(C)(C(=O)O)OC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C32H42N4O6/c1-31(2,3)27(37)20-36-26-18-12-11-17-25(26)35(22-13-7-5-8-14-22)19-24(28(36)38)34-30(41)33-21-32(4,29(39)40)42-23-15-9-6-10-16-23/h6,9-12,15-18,22,24H,5,7-8,13-14,19-21H2,1-4H3,(H,39,40)(H2,33,34,41)