1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]piperidine-4-carboxylic acid CAS Name: 1-[[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]piperidine-4-carboxylic acid Traditional Name: 1-[[1-carboxy-3-(methylthio)propyl]carbamoyl]isonipecotic acid Formula: C12H20N2O5S MolecularWeight: 304.3626

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)N1CCC(CC1)C(=O)O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C12H20N2O5S/c1-20-7-4-9(11(17)18)13-12(19)14-5-2-8(3-6-14)10(15)16/h8-9H,2-7H2,1H3,(H,13,19)(H,15,16)(H,17,18)