ethyl (2S)-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: ethyl (2S)-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoylamino]-4-methylsulfanyl-butanoate Openeye Name: ethyl (2S)-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[4-(2-methyl-1-imidazo[4,5-c]pyridinyl)-1-oxobutyl]amino]-4-(methylthio)butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)butanoylamino]-4-(methylthio)butyric acid ethyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCSC)NC(=O)CCCN1C(=NC2=C1C=CN=C2)C

Isomeric SMILES

CCOC(=O)[C@H](CCSC)NC(=O)CCCN1C(=NC2=C1C=CN=C2)C

InChI

InChI=1S/C18H26N4O3S/c1-4-25-18(24)14(8-11-26-3)21-17(23)6-5-10-22-13(2)20-15-12-19-9-7-16(15)22/h7,9,12,14H,4-6,8,10-11H2,1-3H3,(H,21,23)/t14-/m0/s1