2-(3-oxidanylidene-4-phenethyl-7-phenylmethoxycarbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoic acid

Systemtic Name: 2-(3-oxidanylidene-4-phenethyl-7-phenylmethoxycarbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoic acid Openeye Name: 2-(7-benzyloxycarbonyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid CAS Name: 2-(3-oxo-4-phenethyl-7-phenylmethoxycarbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid IUPAC Name: 2-(3-oxo-4-phenethyl-7-phenylmethoxycarbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid Traditional Name: 2-(7-carbobenzoxy-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=O)OCC3=CC=CC=C3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C27H26N2O5/c30-25(31)16-24-26(32)29(14-13-19-7-3-1-4-8-19)17-22-15-21(11-12-23(22)28-24)27(33)34-18-20-9-5-2-6-10-20/h1-12,15,24,28H,13-14,16-18H2,(H,30,31)