2-[[2-(dimethylamino)pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(dimethylamino)pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(dimethylamino)-4-pyridinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-(dimethylamino)isonicotinoyl]amino]-4-(methylthio)butyric acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=CC(=C1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN(C)C1=NC=CC(=C1)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H19N3O3S/c1-16(2)11-8-9(4-6-14-11)12(17)15-10(13(18)19)5-7-20-3/h4,6,8,10H,5,7H2,1-3H3,(H,15,17)(H,18,19)