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

Systemtic Name: 3-azanyl-4-[2-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)phenyl]-4-oxidanylidene-butanoic acid phosphate Openeye Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-oxo-propyl)phenyl]-4-oxo-butanoic acid phosphate CAS Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-oxopropyl)phenyl]-4-oxobutanoic acid phosphate IUPAC Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-oxopropyl)phenyl]-4-oxobutanoic acid phosphate Traditional Name: 3-amino-4-[2-(2-amino-3-hydroxy-3-keto-propyl)phenyl]-4-keto-butyric acid phosphate Formula: C13H16N2O9P-3 MolecularWeight: 375.247901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(C(=O)O)N)C(=O)C(CC(=O)O)N.[O-]P(=O)([O-])[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC(C(=O)O)N)C(=O)C(CC(=O)O)N.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C13H16N2O5.H3O4P/c14-9(6-11(16)17)12(18)8-4-2-1-3-7(8)5-10(15)13(19)20;1-5(2,3)4/h1-4,9-10H,5-6,14-15H2,(H,16,17)(H,19,20);(H3,1,2,3,4)/p-3