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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CCC(=O)O

InChI

InChI=1S/C26H23N3O5/c30-22(31)15-16-29-21-14-8-7-13-20(21)23(19-11-5-2-6-12-19)27-24(25(29)32)28-26(33)34-17-18-9-3-1-4-10-18/h1-14,24H,15-17H2,(H,28,33)(H,30,31)