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

Systemtic Name: (2S,3S)-3-methyl-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[[(3S)-1-tosylnipecotoyl]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)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H28N2O5S/c1-4-14(3)17(19(23)24)20-18(22)15-6-5-11-21(12-15)27(25,26)16-9-7-13(2)8-10-16/h7-10,14-15,17H,4-6,11-12H2,1-3H3,(H,20,22)(H,23,24)/p-1/t14-,15-,17-/m0/s1