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

Systemtic Name: 5-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoic acid Openeye Name: 5-[[5-(3,3-dimethyl-2-oxo-butyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoic acid CAS Name: 5-[[[[5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]-2-methylbenzoic acid IUPAC Name: 5-[[5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methylbenzoic acid Traditional Name: 5-[[4-keto-5-(2-keto-3,3-dimethyl-butyl)-7-methyl-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]-2-methyl-benzoic acid Formula: C31H34N4O5 MolecularWeight: 542.62546

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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(=C(C=C3)C)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)NC3=CC(=C(C=C3)C)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C31H34N4O5/c1-19-11-14-25-26(15-19)35(18-27(36)31(3,4)5)28(37)24(17-34(25)22-9-7-6-8-10-22)33-30(40)32-21-13-12-20(2)23(16-21)29(38)39/h6-16,24H,17-18H2,1-5H3,(H,38,39)(H2,32,33,40)