(2S)-2-azanyl-3-phenyl-propanoic acid; S-(phenylmethyl) methanethioate

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; S-(phenylmethyl) methanethioate Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; S-benzyl methanethioate CAS Name: (2S)-2-amino-3-phenylpropanoic acid; methanethioic acid S-(phenylmethyl) ester IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; S-benzyl methanethioate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; methanethioic acid S-benzyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C(C=C1)CSC=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)N.C1=CC=C(C=C1)CSC=O

InChI

InChI=1S/C9H11NO2.C8H8OS/c10-8(9(11)12)6-7-4-2-1-3-5-7;9-7-10-6-8-4-2-1-3-5-8/h1-5,8H,6,10H2,(H,11,12);1-5,7H,6H2/t8-;/m0./s1