[(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [(2R)-3-(tert-butoxycarbonylamino)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2R)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2R)-3-(tert-butoxycarbonylamino)-2-hydroxy-propyl] ester Formula: C15H23NO6S MolecularWeight: 345.41122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23NO6S/c1-11-5-7-13(8-6-11)23(19,20)21-10-12(17)9-16-14(18)22-15(2,3)4/h5-8,12,17H,9-10H2,1-4H3,(H,16,18)/t12-/m1/s1