5-[[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-[3,4-bis(oxidanyl)phenyl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[3-(3,4-dihydroxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 5-[(2-hydroxy-2-keto-1-protocatechuyl-ethyl)amino]-5-keto-valeric acid Formula: C14H17NO7 MolecularWeight: 311.28728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)CCCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)CCCC(=O)O)O)O

InChI

InChI=1S/C14H17NO7/c16-10-5-4-8(7-11(10)17)6-9(14(21)22)15-12(18)2-1-3-13(19)20/h4-5,7,9,16-17H,1-3,6H2,(H,15,18)(H,19,20)(H,21,22)