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

Systemtic Name: 2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-3-methyl-butyric acid Formula: C14H19NO5 MolecularWeight: 281.30436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C14H19NO5/c1-8(2)13(14(19)20)15-12(18)6-4-9-3-5-10(16)11(17)7-9/h3,5,7-8,13,16-17H,4,6H2,1-2H3,(H,15,18)(H,19,20)