(2R)-4-methylsulfanyl-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]butanoic acid

Systemtic Name: (2R)-4-methylsulfanyl-2-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]butanoic acid Openeye Name: (2R)-4-methylsulfanyl-2-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]butanoic acid CAS Name: (2R)-4-(methylthio)-2-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]butanoic acid IUPAC Name: (2R)-4-methylsulfanyl-2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]butanoic acid Traditional Name: (2R)-4-(methylthio)-2-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]butyric acid Formula: C15H22N2O5S3 MolecularWeight: 406.54058

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C15H22N2O5S3/c1-23-10-6-12(15(19)20)16-14(18)11-4-7-17(8-5-11)25(21,22)13-3-2-9-24-13/h2-3,9,11-12H,4-8,10H2,1H3,(H,16,18)(H,19,20)/t12-/m1/s1