3-azanyl-4-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)-5-oxidanyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-oxo-propyl)-5-hydroxy-phenyl]-4-oxo-butanoic acid CAS Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxyphenyl]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-oxopropyl)-5-hydroxyphenyl]-4-oxobutanoic acid Traditional Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-keto-propyl)-5-hydroxy-phenyl]-4-keto-butyric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O6/c14-9(5-11(17)18)12(19)8-4-7(16)2-1-6(8)3-10(15)13(20)21/h1-2,4,9-10,16H,3,5,14-15H2,(H,17,18)(H,20,21)