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

Systemtic Name: 5-azanyl-2-[[2,4-bis(oxidanyl)phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(2,4-dihydroxybenzoyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(2,4-dihydroxyphenyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(2,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(2,4-dihydroxybenzoyl)amino]-5-keto-valeric acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)O)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1O)O)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C12H14N2O6/c13-10(17)4-3-8(12(19)20)14-11(18)7-2-1-6(15)5-9(7)16/h1-2,5,8,15-16H,3-4H2,(H2,13,17)(H,14,18)(H,19,20)