[(2S,3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tetradecyl-oxolan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tetradecyl-oxolan-3-yl] 4-methylbenzenesulfonate Openeye Name: [(2S,3R,4S)-4-(tert-butoxycarbonylamino)-2-tetradecyl-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3R,4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-tetradecyl-3-oxolanyl] ester IUPAC Name: [(2S,3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-tetradecyloxolan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3R,4S)-4-(tert-butoxycarbonylamino)-2-myristyl-tetrahydrofuran-3-yl] ester Formula: C30H51NO6S MolecularWeight: 553.79404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1C(C(CO1)NC(=O)OC(C)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCC[C@H]1[C@@H]([C@H](CO1)NC(=O)OC(C)(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C30H51NO6S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-27-28(26(23-35-27)31-29(32)36-30(3,4)5)37-38(33,34)25-21-19-24(2)20-22-25/h19-22,26-28H,6-18,23H2,1-5H3,(H,31,32)/t26-,27-,28+/m0/s1