(2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(3S)-1-(4-acetamidophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylpiperidine-3-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(3S)-1-(4-acetamidophenyl)sulfonylnipecotoyl]amino]-4-(methylthio)butyrate Formula: C19H26N3O6S2- MolecularWeight: 456.55624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C19H27N3O6S2/c1-13(23)20-15-5-7-16(8-6-15)30(27,28)22-10-3-4-14(12-22)18(24)21-17(19(25)26)9-11-29-2/h5-8,14,17H,3-4,9-12H2,1-2H3,(H,20,23)(H,21,24)(H,25,26)/p-1/t14-,17-/m0/s1