2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2,4-bis(azanyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2,4-bis(azanyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2,4-diamino-4-oxo-butanoic acid CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2,4-diamino-4-oxobutanoic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2,4-diamino-4-oxobutanoic acid Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 2,4-diamino-4-keto-butyric acid Formula: C17H27N5O9 MolecularWeight: 445.42438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.C(C(C(=O)O)N)C(=O)N.C(C(C(=O)O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)O.C(C(C(=O)O)N)C(=O)N.C(C(C(=O)O)N)C(=O)N

InChI

InChI=1S/C9H11NO3.2C4H8N2O3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;2*5-2(4(8)9)1-3(6)7/h1-4,8,11H,5,10H2,(H,12,13);2*2H,1,5H2,(H2,6,7)(H,8,9)