methyl (2R)-2-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-(1H-imidazo[4,5-b]pyridin-2-ylthio)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NC2=C(N1)C=CC=N2

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NC2=C(N1)C=CC=N2

InChI

InChI=1S/C15H20N4O3S/c1-9(2)7-11(14(21)22-3)17-12(20)8-23-15-18-10-5-4-6-16-13(10)19-15/h4-6,9,11H,7-8H2,1-3H3,(H,17,20)(H,16,18,19)/t11-/m1/s1