2-[(1-ethanoylpiperidin-4-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(1-ethanoylpiperidin-4-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(1-acetyl-4-piperidinyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1-acetylisonipecotoyl)amino]-4-(methylthio)butyric acid Formula: C13H22N2O4S MolecularWeight: 302.38978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C13H22N2O4S/c1-9(16)15-6-3-10(4-7-15)12(17)14-11(13(18)19)5-8-20-2/h10-11H,3-8H2,1-2H3,(H,14,17)(H,18,19)