3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[(3S)-1-tosylnipecotoyl]amino]propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NCCC(=O)O

InChI

InChI=1S/C16H22N2O5S/c1-12-4-6-14(7-5-12)24(22,23)18-10-2-3-13(11-18)16(21)17-9-8-15(19)20/h4-7,13H,2-3,8-11H2,1H3,(H,17,21)(H,19,20)/t13-/m0/s1