methyl (2S,3R)-3-(3-acetyloxy-4-phenylmethoxy-phenyl)-2-[(4-methoxyphenyl)carbonyl-methyl-amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S,3R)-3-(3-acetyloxy-4-phenylmethoxy-phenyl)-2-[(4-methoxyphenyl)carbonyl-methyl-amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S,3R)-3-(3-acetoxy-4-benzyloxy-phenyl)-3-hydroxy-2-[(4-methoxybenzoyl)-methyl-amino]propanoate CAS Name: (2S,3R)-3-(3-acetyloxy-4-phenylmethoxyphenyl)-3-hydroxy-2-[[(4-methoxyphenyl)-oxomethyl]-methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S,3R)-3-(3-acetyloxy-4-phenylmethoxyphenyl)-3-hydroxy-2-[(4-methoxybenzoyl)-methylamino]propanoate Traditional Name: (2S,3R)-3-(3-acetoxy-4-benzoxy-phenyl)-3-hydroxy-2-[methyl(p-anisoyl)amino]propionic acid methyl ester Formula: C28H29NO8 MolecularWeight: 507.53176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)C(C(C(=O)OC)N(C)C(=O)C2=CC=C(C=C2)OC)O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)[C@H]([C@@H](C(=O)OC)N(C)C(=O)C2=CC=C(C=C2)OC)O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H29NO8/c1-18(30)37-24-16-21(12-15-23(24)36-17-19-8-6-5-7-9-19)26(31)25(28(33)35-4)29(2)27(32)20-10-13-22(34-3)14-11-20/h5-16,25-26,31H,17H2,1-4H3/t25-,26+/m0/s1