2-[6-methyl-2-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[6-methyl-2-oxidanylidene-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[3-(benzyloxycarbonylamino)-6-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid CAS Name: 2-[6-methyl-2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[6-methyl-2-oxo-5-phenyl-3-(phenylmethoxycarbonylamino)-3H-1,4-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[3-(benzyloxycarbonylamino)-2-keto-6-methyl-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=O)C(N=C2C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=O)C(N=C2C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C26H23N3O5/c1-17-9-8-14-20-22(17)23(19-12-6-3-7-13-19)27-24(25(32)29(20)15-21(30)31)28-26(33)34-16-18-10-4-2-5-11-18/h2-14,24H,15-16H2,1H3,(H,28,33)(H,30,31)