3-[2-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-1-phenyl-5H-2,3-benzodiazepin-3-yl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[5-(3,3-dimethyl-2-oxidanylidene-butyl)-4-oxidanylidene-1-phenyl-5H-2,3-benzodiazepin-3-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[5-(3,3-dimethyl-2-oxo-butyl)-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[4-keto-5-(2-keto-3,3-dimethyl-butyl)-1-phenyl-5H-2,3-benzodiazepin-3-yl]acetyl]amino]benzoic acid Formula: C30H29N3O5 MolecularWeight: 511.56836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CC1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H29N3O5/c1-30(2,3)25(34)17-24-22-14-7-8-15-23(22)27(19-10-5-4-6-11-19)32-33(28(24)36)18-26(35)31-21-13-9-12-20(16-21)29(37)38/h4-16,24H,17-18H2,1-3H3,(H,31,35)(H,37,38)