2-azanyl-3-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(5-chloranyl-1-methyl-imidazol-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(5-chloro-1-methyl-imidazol-2-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(5-chloro-1-methyl-2-imidazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(5-chloro-1-methyl-imidazol-2-yl)methylthio]propionic acid Formula: C8H12ClN3O2S MolecularWeight: 249.71778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1CSCC(C(=O)O)N)Cl

Isomeric SMILES

CN1C(=CN=C1CSCC(C(=O)O)N)Cl

InChI

InChI=1S/C8H12ClN3O2S/c1-12-6(9)2-11-7(12)4-15-3-5(10)8(13)14/h2,5H,3-4,10H2,1H3,(H,13,14)