(2R)-4-methylsulfanyl-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: (2R)-4-methylsulfanyl-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: (2R)-4-methylsulfanyl-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]butanoic acid CAS Name: (2R)-4-(methylthio)-2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: (2R)-4-methylsulfanyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid Traditional Name: (2R)-4-(methylthio)-2-[(3-piperidinosulfonylbenzoyl)amino]butyric acid Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H24N2O5S2/c1-25-11-8-15(17(21)22)18-16(20)13-6-5-7-14(12-13)26(23,24)19-9-3-2-4-10-19/h5-7,12,15H,2-4,8-11H2,1H3,(H,18,20)(H,21,22)/t15-/m1/s1