3-[(5-acetamido-2-sulfo-phenyl)amino]propanoic acid

Systemtic Name: 3-[(5-acetamido-2-sulfo-phenyl)amino]propanoic acid Openeye Name: 3-(5-acetamido-2-sulfo-anilino)propanoic acid CAS Name: 3-(5-acetamido-2-sulfoanilino)propanoic acid IUPAC Name: 3-(5-acetamido-2-sulfoanilino)propanoic acid Traditional Name: 3-(5-acetamido-2-sulfo-anilino)propionic acid Formula: C11H14N2O6S MolecularWeight: 302.30366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)NCCC(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)S(=O)(=O)O)NCCC(=O)O

InChI

InChI=1S/C11H14N2O6S/c1-7(14)13-8-2-3-10(20(17,18)19)9(6-8)12-5-4-11(15)16/h2-3,6,12H,4-5H2,1H3,(H,13,14)(H,15,16)(H,17,18,19)