(phenylmethyl) (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoate Openeye Name: benzyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate CAS Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate Traditional Name: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid benzyl ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c17-13(8-12-6-7-14(18)15(19)9-12)16(20)21-10-11-4-2-1-3-5-11/h1-7,9,13,18-19H,8,10,17H2/t13-/m0/s1