2-azanyl-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylsulfanyl]propanoic acid CAS Name: 2-amino-3-[2-(2-methyl-5-nitro-1-imidazolyl)ethylthio]propanoic acid IUPAC Name: 2-amino-3-[2-(2-methyl-5-nitroimidazol-1-yl)ethylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[2-(2-methyl-5-nitro-imidazol-1-yl)ethylthio]propionic acid Formula: C9H14N4O4S MolecularWeight: 274.29686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCSCC(C(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CCSCC(C(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H14N4O4S/c1-6-11-4-8(13(16)17)12(6)2-3-18-5-7(10)9(14)15/h4,7H,2-3,5,10H2,1H3,(H,14,15)