benzenesulfonic acid; (phenylmethyl) (2S)-2-azanylpropanoate

Systemtic Name: benzenesulfonic acid; (phenylmethyl) (2S)-2-azanylpropanoate Openeye Name: benzenesulfonic acid; benzyl (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic acid (phenylmethyl) ester; benzenesulfonic acid IUPAC Name: benzenesulfonic acid; benzyl (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid benzyl ester; besylic acid Formula: C16H19NO5S MolecularWeight: 337.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C10H13NO2.C6H6O3S/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;7-10(8,9)6-4-2-1-3-5-6/h2-6,8H,7,11H2,1H3;1-5H,(H,7,8,9)/t8-;/m0./s1