(2S)-2-azanyl-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid dihydrochloride

Systemtic Name: (2S)-2-azanyl-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid dihydrochloride Openeye Name: (2S)-2-amino-3-(3-benzylimidazol-4-yl)propanoic acid dihydrochloride CAS Name: (2S)-2-amino-3-[3-(phenylmethyl)-4-imidazolyl]propanoic acid dihydrochloride IUPAC Name: (2S)-2-amino-3-(3-benzylimidazol-4-yl)propanoic acid dihydrochloride Traditional Name: (2S)-2-amino-3-(3-benzylimidazol-4-yl)propionic acid dihydrochloride Formula: C13H17Cl2N3O2 MolecularWeight: 318.19898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC=C2CC(C(=O)O)N.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC=C2C[C@@H](C(=O)O)N.Cl.Cl

InChI

InChI=1S/C13H15N3O2.2ClH/c14-12(13(17)18)6-11-7-15-9-16(11)8-10-4-2-1-3-5-10;;/h1-5,7,9,12H,6,8,14H2,(H,17,18);2*1H/t12-;;/m0../s1