methyl (2S)-3-(3-acetyloxy-4-methoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-acetyloxy-4-methoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-3-(3-acetoxy-4-methoxy-phenyl)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-(3-acetyloxy-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-acetyloxy-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(3-acetoxy-4-methoxy-phenyl)-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H23NO7/c1-14(23)29-19-12-16(9-10-18(19)26-2)11-17(20(24)27-3)22-21(25)28-13-15-7-5-4-6-8-15/h4-10,12,17H,11,13H2,1-3H3,(H,22,25)/t17-/m0/s1