(2S)-3-[3,4-bis(oxidanyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[3,4-bis(oxidanyl)phenyl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-(3,4-dihydroxyphenyl)propanoic acid CAS Name: (2S)-3-(3,4-dihydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-(3,4-dihydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(3,4-dihydroxyphenyl)propionic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CC(=C(C=C2)O)O)C(=O)O

InChI

InChI=1S/C17H17NO6/c19-14-7-6-12(9-15(14)20)8-13(16(21)22)18-17(23)24-10-11-4-2-1-3-5-11/h1-7,9,13,19-20H,8,10H2,(H,18,23)(H,21,22)/t13-/m0/s1