methyl (2S)-3-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-[3,5-bis(hydroxymethyl)-4-oxidanyl-phenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propanoate CAS Name: (2S)-3-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxy-3,5-dimethylol-phenyl)propionic acid methyl ester Formula: C20H23NO7 MolecularWeight: 389.39912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=C(C(=C1)CO)O)CO)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC(=C(C(=C1)CO)O)CO)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO7/c1-27-19(25)17(21-20(26)28-12-13-5-3-2-4-6-13)9-14-7-15(10-22)18(24)16(8-14)11-23/h2-8,17,22-24H,9-12H2,1H3,(H,21,26)/t17-/m0/s1