[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-4-phenyl-butyl] 4-methylbenzenesulfonate Openeye Name: [3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutyl] ester IUPAC Name: [2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C22H29NO6S/c1-16-10-12-18(13-11-16)30(26,27)28-15-20(24)19(14-17-8-6-5-7-9-17)23-21(25)29-22(2,3)4/h5-13,19-20,24H,14-15H2,1-4H3,(H,23,25)