2-azanyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methyl-propanoic acid tetrahydrate hydrochloride

Systemtic Name: 2-azanyl-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methyl-propanoic acid tetrahydrate hydrochloride Openeye Name: 2-amino-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methyl-propanoic acid tetrahydrate hydrochloride CAS Name: 2-amino-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanoic acid tetrahydrate hydrochloride IUPAC Name: 2-amino-3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanoic acid tetrahydrate hydrochloride Traditional Name: 2-amino-3-[4-(2-imidazolin-2-yl)phenyl]-2-methyl-propionic acid tetrahydrate hydrochloride Formula: C13H26ClN3O6 MolecularWeight: 355.81504

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=NCCN2)(C(=O)O)N.O.O.O.O.Cl

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=NCCN2)(C(=O)O)N.O.O.O.O.Cl

InChI

InChI=1S/C13H17N3O2.ClH.4H2O/c1-13(14,12(17)18)8-9-2-4-10(5-3-9)11-15-6-7-16-11;;;;;/h2-5H,6-8,14H2,1H3,(H,15,16)(H,17,18);1H;4*1H2