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

Systemtic Name: (2R)-4-methylsulfanyl-2-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]butanoate Openeye Name: (2R)-4-methylsulfanyl-2-[[3-(1-piperidylsulfonyl)benzoyl]amino]butanoate CAS Name: (2R)-4-(methylthio)-2-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]butanoate IUPAC Name: (2R)-4-methylsulfanyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[(3-piperidinosulfonylbenzoyl)amino]butyrate Formula: C17H23N2O5S2- MolecularWeight: 399.50492

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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)/p-1/t15-/m1/s1