3-[3,4-bis(oxidanyl)phenyl]-2-(propanoylamino)propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-(propanoylamino)propanoic acid Openeye Name: 3-(3,4-dihydroxyphenyl)-2-(propanoylamino)propanoic acid CAS Name: 3-(3,4-dihydroxyphenyl)-2-(1-oxopropylamino)propanoic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-(propanoylamino)propanoic acid Traditional Name: 3-(3,4-dihydroxyphenyl)-2-propionamido-propionic acid Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5/c1-2-11(16)13-8(12(17)18)5-7-3-4-9(14)10(15)6-7/h3-4,6,8,14-15H,2,5H2,1H3,(H,13,16)(H,17,18)