(2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[(3S)-1-tosylnipecotoyl]amino]propionic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c1-11-5-7-14(8-6-11)24(22,23)18-9-3-4-13(10-18)15(19)17-12(2)16(20)21/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,17,19)(H,20,21)/t12-,13-/m0/s1