(phenylmethyl) (2S)-2-azanyl-3-(2,6-dideuterio-4-oxidanyl-phenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-azanyl-3-(2,6-dideuterio-4-oxidanyl-phenyl)propanoate Openeye Name: benzyl (2S)-2-amino-3-(2,6-dideuterio-4-hydroxy-phenyl)propanoate CAS Name: (2S)-2-amino-3-(2,6-dideuterio-4-hydroxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-amino-3-(2,6-dideuterio-4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-amino-3-(2,6-dideuterio-4-hydroxy-phenyl)propionic acid benzyl ester Formula: C16H17NO3 MolecularWeight: 273.323404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

[2H]C1=CC(=CC(=C1C[C@@H](C(=O)OCC2=CC=CC=C2)N)[2H])O

InChI

InChI=1S/C16H17NO3/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13/h1-9,15,18H,10-11,17H2/t15-/m0/s1/i6D,7D