(2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-sulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-sulfanyl-butanoic acid Openeye Name: (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-sulfanyl-butanoic acid CAS Name: (2S)-2-[[[1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-mercaptobutanoic acid IUPAC Name: (2S)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-sulfanylbutanoic acid Traditional Name: (2S)-2-[[1-(4-fluorophenyl)sulfonylnipecotoyl]amino]-4-mercapto-butyric acid Formula: C16H21FN2O5S2 MolecularWeight: 404.476743

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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

C1CC(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)/t11?,14-/m0/s1