4-azanyl-2-(phenylmethyl)butanoic acid; benzenesulfonic acid

Systemtic Name: 4-azanyl-2-(phenylmethyl)butanoic acid; benzenesulfonic acid Openeye Name: 4-amino-2-benzyl-butanoic acid; benzenesulfonic acid CAS Name: 4-amino-2-(phenylmethyl)butanoic acid; benzenesulfonic acid IUPAC Name: 4-amino-2-benzylbutanoic acid; benzenesulfonic acid Traditional Name: 4-amino-2-benzyl-butyric acid; besylic acid Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CCN)C(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CCN)C(=O)O.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H15NO2.C6H6O3S/c12-7-6-10(11(13)14)8-9-4-2-1-3-5-9;7-10(8,9)6-4-2-1-3-5-6/h1-5,10H,6-8,12H2,(H,13,14);1-5H,(H,7,8,9)