3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid

Systemtic Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C30H38N4O5 MolecularWeight: 534.64652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4CCCCC4

InChI

InChI=1S/C30H38N4O5/c1-19-13-14-24-25(15-19)34(18-26(35)30(2,3)4)27(36)23(17-33(24)22-11-6-5-7-12-22)32-29(39)31-21-10-8-9-20(16-21)28(37)38/h8-10,13-16,22-23H,5-7,11-12,17-18H2,1-4H3,(H,37,38)(H2,31,32,39)