methyl (2S)-3-(3-ethanoyl-4-phenylmethoxy-phenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoate

Systemtic Name: methyl (2S)-3-(3-ethanoyl-4-phenylmethoxy-phenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoate Openeye Name: methyl (2S)-3-(3-acetyl-4-benzyloxy-phenyl)-2-[benzyloxycarbonyl(methyl)amino]propanoate CAS Name: (2S)-3-(3-acetyl-4-phenylmethoxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-acetyl-4-phenylmethoxyphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]propanoate Traditional Name: (2S)-3-(3-acetyl-4-benzoxy-phenyl)-2-[carbobenzoxy(methyl)amino]propionic acid methyl ester Formula: C28H29NO6 MolecularWeight: 475.53296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)CC(C(=O)OC)N(C)C(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)C[C@@H](C(=O)OC)N(C)C(=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C28H29NO6/c1-20(30)24-16-23(14-15-26(24)34-18-21-10-6-4-7-11-21)17-25(27(31)33-3)29(2)28(32)35-19-22-12-8-5-9-13-22/h4-16,25H,17-19H2,1-3H3/t25-/m0/s1