2-[3-(4-methylphenyl)propanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[3-(4-methylphenyl)propanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[3-(p-tolyl)propanoylamino]propanoic acid CAS Name: 3-hydroxy-2-[[3-(4-methylphenyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[3-(4-methylphenyl)propanoylamino]propanoic acid Traditional Name: 3-hydroxy-2-[3-(p-tolyl)propanoylamino]propionic acid Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(=O)NC(CO)C(=O)O

InChI

InChI=1S/C13H17NO4/c1-9-2-4-10(5-3-9)6-7-12(16)14-11(8-15)13(17)18/h2-5,11,15H,6-8H2,1H3,(H,14,16)(H,17,18)