methyl (2S)-1-[2-oxidanylidene-4-phenyl-3-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[2-oxidanylidene-4-phenyl-3-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[3-(benzyloxycarbonylamino)-2-oxo-4-phenyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1,2-dioxo-4-phenyl-3-(phenylmethoxycarbonylamino)butyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(benzyloxycarbonylamino)-2-keto-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C48H52N4O12 MolecularWeight: 876.94608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3.COC(=O)C1CCCN1C(=O)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3.COC(=O)[C@@H]1CCCN1C(=O)C(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/2C24H26N2O6/c2*1-31-23(29)20-13-8-14-26(20)22(28)21(27)19(15-17-9-4-2-5-10-17)25-24(30)32-16-18-11-6-3-7-12-18/h2*2-7,9-12,19-20H,8,13-16H2,1H3,(H,25,30)/t2*19?,20-/m00/s1