(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: (5-oxidanyl-4-oxidanylidene-pyran-2-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (5-hydroxy-4-oxo-pyran-2-yl)methyl (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate CAS Name: (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid (5-hydroxy-4-oxo-2-pyranyl)methyl ester IUPAC Name: (5-hydroxy-4-oxopyran-2-yl)methyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionic acid (5-hydroxy-4-keto-pyran-2-yl)methyl ester Formula: C23H21NO7 MolecularWeight: 423.41534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC(=O)C(=CO2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC(=O)C(=CO2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H21NO7/c25-20-12-18(29-15-21(20)26)14-30-22(27)19(11-16-7-3-1-4-8-16)24-23(28)31-13-17-9-5-2-6-10-17/h1-10,12,15,19,26H,11,13-14H2,(H,24,28)/t19-/m0/s1