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

Systemtic Name: 3-[[1-(2-cyclopentyl-2-oxidanyl-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Openeye Name: 3-[[1-(2-cyclopentyl-2-hydroxy-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid CAS Name: 3-[[[[1-(2-cyclopentyl-2-hydroxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(2-cyclopentyl-2-hydroxyethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Traditional Name: 3-[[1-(2-cyclopentyl-2-hydroxy-ethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamoylamino]benzoic acid Formula: C30H30N4O5 MolecularWeight: 526.583

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5)O

Isomeric SMILES

C1CCC(C1)C(CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)NC4=CC=CC(=C4)C(=O)O)C5=CC=CC=C5)O

InChI

InChI=1S/C30H30N4O5/c35-25(19-9-4-5-10-19)18-34-24-16-7-6-15-23(24)26(20-11-2-1-3-12-20)32-27(28(34)36)33-30(39)31-22-14-8-13-21(17-22)29(37)38/h1-3,6-8,11-17,19,25,27,35H,4-5,9-10,18H2,(H,37,38)(H2,31,33,39)