2-[[6-(dimethylamino)pyridin-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[6-(dimethylamino)pyridin-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[6-(dimethylamino)-3-pyridinyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[6-(dimethylamino)nicotinoyl]amino]-4-(methylthio)butyric acid Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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