5-[[3,5-bis(phenylmethoxycarbonyl)phenyl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[[3,5-bis(phenylmethoxycarbonyl)phenyl]amino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-5-[3,5-bis(benzyloxycarbonyl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3,5-bis(phenylmethoxycarbonyl)anilino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[3,5-bis(phenylmethoxycarbonyl)anilino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 4-(benzyloxycarbonylamino)-5-(3,5-dicarbobenzoxyanilino)-5-keto-valeric acid Formula: C35H32N2O9 MolecularWeight: 624.63658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)NC(=O)C(CCC(=O)O)NC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)NC(=O)C(CCC(=O)O)NC(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C35H32N2O9/c38-31(39)17-16-30(37-35(43)46-23-26-14-8-3-9-15-26)32(40)36-29-19-27(33(41)44-21-24-10-4-1-5-11-24)18-28(20-29)34(42)45-22-25-12-6-2-7-13-25/h1-15,18-20,30H,16-17,21-23H2,(H,36,40)(H,37,43)(H,38,39)