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

Systemtic Name: methyl (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-(3,4-dihydroxyphenyl)-2-methyl-propanoate CAS Name: (2S)-3-(3,4-dihydroxyphenyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3,4-dihydroxyphenyl)-2-methyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3,4-dihydroxyphenyl)-2-methyl-propionic acid methyl ester Formula: C19H21NO6 MolecularWeight: 359.37314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)O)(C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO6/c1-19(17(23)25-2,11-14-8-9-15(21)16(22)10-14)20-18(24)26-12-13-6-4-3-5-7-13/h3-10,21-22H,11-12H2,1-2H3,(H,20,24)/t19-/m0/s1