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

Systemtic Name: 2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-4-methyl-pentanoic acid Openeye Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-4-methylpentanoic acid Traditional Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-4-methyl-valeric acid Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5/c1-9(2)7-11(15(20)21)16-14(19)6-4-10-3-5-12(17)13(18)8-10/h3,5,8-9,11,17-18H,4,6-7H2,1-2H3,(H,16,19)(H,20,21)