3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[1-(p-tolylsulfonyl)-3-piperidyl]propanoic acid CAS Name: 3-[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1-tosyl-3-piperidyl)propionic acid Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6S/c1-14-7-9-16(10-8-14)29(26,27)22-11-5-6-15(13-22)12-17(18(23)24)21-19(25)28-20(2,3)4/h7-10,15,17H,5-6,11-13H2,1-4H3,(H,21,25)(H,23,24)