(2S)-2-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-sulfanyl-butanoate

Systemtic Name: (2S)-2-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-sulfanyl-butanoate Openeye Name: (2S)-2-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-sulfanyl-butanoate CAS Name: (2S)-2-[[[(3R)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-mercaptobutanoate IUPAC Name: (2S)-2-[[(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-sulfanylbutanoate Traditional Name: (2S)-2-[[(3R)-1-(4-fluorophenyl)sulfonylnipecotoyl]amino]-4-mercapto-butyrate Formula: C16H20FN2O5S2- MolecularWeight: 403.468803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC(CCS)C(=O)[O-]

Isomeric SMILES

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N[C@@H](CCS)C(=O)[O-]

InChI

InChI=1S/C16H21FN2O5S2/c17-12-3-5-13(6-4-12)26(23,24)19-8-1-2-11(10-19)15(20)18-14(7-9-25)16(21)22/h3-6,11,14,25H,1-2,7-10H2,(H,18,20)(H,21,22)/p-1/t11-,14+/m1/s1