(2S)-4-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[(1-tosylisonipecotoyl)amino]valerate Formula: C19H27N2O5S- MolecularWeight: 395.49308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-13(2)12-17(19(23)24)20-18(22)15-8-10-21(11-9-15)27(25,26)16-6-4-14(3)5-7-16/h4-7,13,15,17H,8-12H2,1-3H3,(H,20,22)(H,23,24)/p-1/t17-/m0/s1