3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoic acid hydrate

Systemtic Name: 3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoic acid hydrate Openeye Name: 3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoic acid hydrate CAS Name: 3-(1H-imidazol-5-yl)-2-[(1-oxo-3-phenylpropyl)amino]propanoic acid hydrate IUPAC Name: 3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoic acid hydrate Traditional Name: 2-(hydrocinnamoylamino)-3-(1H-imidazol-5-yl)propionic acid hydrate Formula: C15H19N3O4 MolecularWeight: 305.32906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CN=CN2)C(=O)O.O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CC2=CN=CN2)C(=O)O.O

InChI

InChI=1S/C15H17N3O3.H2O/c19-14(7-6-11-4-2-1-3-5-11)18-13(15(20)21)8-12-9-16-10-17-12;/h1-5,9-10,13H,6-8H2,(H,16,17)(H,18,19)(H,20,21);1H2