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

Systemtic Name: 3-[2-[5-(2-cyclopentyl-2-oxidanylidene-ethyl)-4-oxidanylidene-1-phenyl-5H-2,3-benzodiazepin-3-yl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-[5-(2-cyclopentyl-2-oxo-ethyl)-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl]acetyl]amino]benzoic acid CAS Name: 3-[[2-[5-(2-cyclopentyl-2-oxoethyl)-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[5-(2-cyclopentyl-2-oxoethyl)-4-oxo-1-phenyl-5H-2,3-benzodiazepin-3-yl]acetyl]amino]benzoic acid Traditional Name: 3-[[2-[5-(2-cyclopentyl-2-keto-ethyl)-4-keto-1-phenyl-5H-2,3-benzodiazepin-3-yl]acetyl]amino]benzoic acid Formula: C31H29N3O5 MolecularWeight: 523.57906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)CC2C3=CC=CC=C3C(=NN(C2=O)CC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)C(=O)CC2C3=CC=CC=C3C(=NN(C2=O)CC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O5/c35-27(20-9-4-5-10-20)18-26-24-15-6-7-16-25(24)29(21-11-2-1-3-12-21)33-34(30(26)37)19-28(36)32-23-14-8-13-22(17-23)31(38)39/h1-3,6-8,11-17,20,26H,4-5,9-10,18-19H2,(H,32,36)(H,38,39)