3-[(phenylmethyl)-(2-sulfoethyl)amino]propanoic acid

Systemtic Name: 3-[(phenylmethyl)-(2-sulfoethyl)amino]propanoic acid Openeye Name: 3-[benzyl(2-sulfoethyl)amino]propanoic acid CAS Name: 3-[(phenylmethyl)-(2-sulfoethyl)amino]propanoic acid IUPAC Name: 3-[benzyl(2-sulfoethyl)amino]propanoic acid Traditional Name: 3-[benzyl(2-sulfoethyl)amino]propionic acid Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)O)CCS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)O)CCS(=O)(=O)O

InChI

InChI=1S/C12H17NO5S/c14-12(15)6-7-13(8-9-19(16,17)18)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15)(H,16,17,18)