2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-(methylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-(methylamino)-3-phenyl-propanoic acid Openeye Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-(methylamino)-3-phenyl-propanoic acid CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-(methylamino)-3-phenylpropanoic acid IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-(methylamino)-3-phenylpropanoic acid Traditional Name: 2-amino-3-(1H-imidazol-5-yl)propionic acid; 2-(methylamino)-3-phenyl-propionic acid Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CC=CC=C1)C(=O)O.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

CNC(CC1=CC=CC=C1)C(=O)O.C1=C(NC=N1)CC(C(=O)O)N

InChI

InChI=1S/C10H13NO2.C6H9N3O2/c1-11-9(10(12)13)7-8-5-3-2-4-6-8;7-5(6(10)11)1-4-2-8-3-9-4/h2-6,9,11H,7H2,1H3,(H,12,13);2-3,5H,1,7H2,(H,8,9)(H,10,11)