[(E,2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-octadec-4-enyl] methanesulfonate

Systemtic Name: [(E,2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-octadec-4-enyl] methanesulfonate Openeye Name: [(E,2S,3R)-2-(tert-butoxycarbonylamino)-3-hydroxy-octadec-4-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,2S,3R)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]octadec-4-enyl] ester IUPAC Name: [(E,2S,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]octadec-4-enyl] methanesulfonate Traditional Name: methanesulfonic acid [(E,2S,3R)-2-(tert-butoxycarbonylamino)-3-hydroxy-octadec-4-enyl] ester Formula: C24H47NO6S MolecularWeight: 477.69808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COS(=O)(=O)C)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COS(=O)(=O)C)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C24H47NO6S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)21(20-30-32(5,28)29)25-23(27)31-24(2,3)4/h18-19,21-22,26H,6-17,20H2,1-5H3,(H,25,27)/b19-18+/t21-,22+/m0/s1