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

Systemtic Name: 3-[(phenylmethyl)amino]-2-sulfo-propanoic acid Openeye Name: 3-(benzylamino)-2-sulfo-propanoic acid CAS Name: 3-[(phenylmethyl)amino]-2-sulfopropanoic acid IUPAC Name: 3-(benzylamino)-2-sulfopropanoic acid Traditional Name: 3-(benzylamino)-2-sulfo-propionic acid Formula: C10H13NO5S MolecularWeight: 259.27892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNCC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H13NO5S/c12-10(13)9(17(14,15)16)7-11-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)(H,14,15,16)