(2S)-3-(1H-imidazol-5-yl)-2-[3-(3-methylpyridin-1-ium-1-yl)propanoylamino]propanoic acid

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(3-methylpyridin-1-ium-1-yl)propanoylamino]propanoic acid Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(3-methylpyridin-1-ium-1-yl)propanoylamino]propanoic acid CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[3-(3-methyl-1-pyridin-1-iumyl)-1-oxopropyl]amino]propanoic acid IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(3-methylpyridin-1-ium-1-yl)propanoylamino]propanoic acid Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(3-methylpyridin-1-ium-1-yl)propanoylamino]propionic acid Formula: C15H19N4O3+ MolecularWeight: 303.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CCC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CC1=C[N+](=CC=C1)CCC(=O)N[C@@H](CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C15H18N4O3/c1-11-3-2-5-19(9-11)6-4-14(20)18-13(15(21)22)7-12-8-16-10-17-12/h2-3,5,8-10,13H,4,6-7H2,1H3,(H2-,16,17,18,20,21,22)/p+1/t13-/m0/s1