(2S)-4-methylsulfanyl-2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]butanoate Openeye Name: (2S)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3S)-1-besylnipecotoyl]amino]-4-(methylthio)butyrate Formula: C17H23N2O5S2- MolecularWeight: 399.50492

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H24N2O5S2/c1-25-11-9-15(17(21)22)18-16(20)13-6-5-10-19(12-13)26(23,24)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-12H2,1H3,(H,18,20)(H,21,22)/p-1/t13-,15-/m0/s1