3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoic 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-benzoic 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-benzoic 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-methylbenzoic acid IUPAC Name: 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methylbenzoic 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-benzoic acid Formula: C30H38N4O5 MolecularWeight: 534.64652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C(C)(C)C)C4CCCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)NC2CN(C3=CC=CC=C3N(C2=O)CC(=O)C(C)(C)C)C4CCCCC4)C(=O)O

InChI

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