[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butyl] ester IUPAC Name: [(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyl] ester Formula: C17H27NO5S MolecularWeight: 357.46498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H](C(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H27NO5S/c1-12(2)15(18-16(19)23-17(4,5)6)11-22-24(20,21)14-9-7-13(3)8-10-14/h7-10,12,15H,11H2,1-6H3,(H,18,19)/t15-/m1/s1