(2S)-3-(4-acetyloxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid

Systemtic Name: (2S)-3-(4-acetyloxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid Openeye Name: (2S)-3-(4-acetoxyphenyl)-2-[benzyloxycarbonyl(methyl)amino]propanoic acid CAS Name: (2S)-3-(4-acetyloxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid IUPAC Name: (2S)-3-(4-acetyloxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid Traditional Name: (2S)-3-(4-acetoxyphenyl)-2-[carbobenzoxy(methyl)amino]propionic acid Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=O)O)N(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-14(22)27-17-10-8-15(9-11-17)12-18(19(23)24)21(2)20(25)26-13-16-6-4-3-5-7-16/h3-11,18H,12-13H2,1-2H3,(H,23,24)/t18-/m0/s1