2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]piperidin-4-yl]carbonylamino]ethanoate Openeye Name: 2-[[1-[(2S)-4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]piperidine-4-carbonyl]amino]acetate CAS Name: 2-[[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]-4-piperidinyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[1-[(2S)-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carbonyl]amino]acetate Traditional Name: 2-[[1-[(2S)-4-(methylthio)-2-(tosylamino)butanoyl]isonipecotoyl]amino]acetate Formula: C20H28N3O6S2- MolecularWeight: 470.58282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCC(CC2)C(=O)NCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCSC)C(=O)N2CCC(CC2)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C20H29N3O6S2/c1-14-3-5-16(6-4-14)31(28,29)22-17(9-12-30-2)20(27)23-10-7-15(8-11-23)19(26)21-13-18(24)25/h3-6,15,17,22H,7-13H2,1-2H3,(H,21,26)(H,24,25)/p-1/t17-/m0/s1