2-[3-(phenylsulfonyl)propanoylamino]propanoic acid

Systemtic Name: 2-[3-(phenylsulfonyl)propanoylamino]propanoic acid Openeye Name: 2-[3-(benzenesulfonyl)propanoylamino]propanoic acid CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-[3-(benzenesulfonyl)propanoylamino]propanoic acid Traditional Name: 2-(3-besylpropanoylamino)propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC(=O)CCS(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C(=O)O)NC(=O)CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H15NO5S/c1-9(12(15)16)13-11(14)7-8-19(17,18)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)(H,15,16)