(2S,3S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(1-tosylisonipecotoyl)amino]valerate Formula: C19H27N2O5S- MolecularWeight: 395.49308

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H28N2O5S/c1-4-14(3)17(19(23)24)20-18(22)15-9-11-21(12-10-15)27(25,26)16-7-5-13(2)6-8-16/h5-8,14-15,17H,4,9-12H2,1-3H3,(H,20,22)(H,23,24)/p-1/t14-,17-/m0/s1