(2S)-2-azanyl-3-phenyl-propanoic acid; methyl hydrogen sulfate

Systemtic Name: (2S)-2-azanyl-3-phenyl-propanoic acid; methyl hydrogen sulfate Openeye Name: (2S)-2-amino-3-phenyl-propanoic acid; methyl hydrogen sulfate CAS Name: (2S)-2-amino-3-phenylpropanoic acid; sulfuric acid methyl ester IUPAC Name: (2S)-2-amino-3-phenylpropanoic acid; methyl hydrogen sulfate Traditional Name: (2S)-2-amino-3-phenyl-propionic acid; sulfuric acid methyl ester Formula: C10H15NO6S MolecularWeight: 277.2942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.CH4O4S/c10-8(9(11)12)6-7-4-2-1-3-5-7;1-5-6(2,3)4/h1-5,8H,6,10H2,(H,11,12);1H3,(H,2,3,4)/t8-;/m0./s1