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

Systemtic Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(3-methylpyridin-1-ium-1-yl)propanoylamino]propanoate Openeye Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(3-methylpyridin-1-ium-1-yl)propanoylamino]propanoate CAS Name: (2S)-3-(1H-imidazol-5-yl)-2-[[3-(3-methyl-1-pyridin-1-iumyl)-1-oxopropyl]amino]propanoate IUPAC Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(3-methylpyridin-1-ium-1-yl)propanoylamino]propanoate Traditional Name: (2S)-3-(1H-imidazol-5-yl)-2-[3-(3-methylpyridin-1-ium-1-yl)propanoylamino]propionate Formula: C15H18N4O3 MolecularWeight: 302.32842

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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)/t13-/m0/s1