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

Systemtic Name: 3-[[5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methoxy-4-oxidanylidene-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[5-(3,3-dimethyl-2-oxo-butyl)-7-methoxy-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[5-(3,3-dimethyl-2-oxobutyl)-7-methoxy-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[5-(3,3-dimethyl-2-oxobutyl)-7-methoxy-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[4-keto-5-(2-keto-3,3-dimethyl-butyl)-7-methoxy-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C30H32N4O6 MolecularWeight: 544.59828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=CC(=C2)OC)N(CC(C1=O)NC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H32N4O6/c1-30(2,3)26(35)18-34-25-16-22(40-4)13-14-24(25)33(21-11-6-5-7-12-21)17-23(27(34)36)32-29(39)31-20-10-8-9-19(15-20)28(37)38/h5-16,23H,17-18H2,1-4H3,(H,37,38)(H2,31,32,39)