2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; 2-amino-3-(1H-imidazol-5-yl)propionic acid Formula: C15H20N4O5 MolecularWeight: 336.3431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)O.C1=C(NC=N1)CC(C(=O)O)N

InChI

InChI=1S/C9H11NO3.C6H9N3O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-5(6(10)11)1-4-2-8-3-9-4/h1-4,8,11H,5,10H2,(H,12,13);2-3,5H,1,7H2,(H,8,9)(H,10,11)