ethyl (2S)-4-methyl-2-[5-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)pentanoylamino]pentanoate

Systemtic Name: ethyl (2S)-4-methyl-2-[5-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)pentanoylamino]pentanoate Openeye Name: ethyl (2S)-4-methyl-2-[5-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)pentanoylamino]pentanoate CAS Name: (2S)-4-methyl-2-[[5-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)-1-oxopentyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methyl-2-[5-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)pentanoylamino]pentanoate Traditional Name: (2S)-4-methyl-2-[5-(2-methyl-1H-imidazo[4,5-c]pyridin-3-ium-3-yl)pentanoylamino]valeric acid ethyl ester Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)CCCC[N+]1=C(NC2=C1C=NC=C2)C

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)CCCC[N+]1=C(NC2=C1C=NC=C2)C

InChI

InChI=1S/C20H30N4O3/c1-5-27-20(26)17(12-14(2)3)23-19(25)8-6-7-11-24-15(4)22-16-9-10-21-13-18(16)24/h9-10,13-14,17H,5-8,11-12H2,1-4H3,(H,23,25)/p+1/t17-/m0/s1