5-azanyl-2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[3-(3,4-dihydroxyphenyl)propanoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[3-(3,4-dihydroxyphenyl)propanoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[3-(3,4-dihydroxyphenyl)propanoylamino]-5-keto-valeric acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCC(=O)NC(CCC(=O)N)C(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCC(=O)NC(CCC(=O)N)C(=O)O)O)O

InChI

InChI=1S/C14H18N2O6/c15-12(19)5-3-9(14(21)22)16-13(20)6-2-8-1-4-10(17)11(18)7-8/h1,4,7,9,17-18H,2-3,5-6H2,(H2,15,19)(H,16,20)(H,21,22)