ethyl (2R,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-ynoate

Systemtic Name: ethyl (2R,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-ynoate Openeye Name: ethyl (2R,3R)-2-(hexadecanoylamino)-3-hydroxy-octadec-4-ynoate CAS Name: (2R,3R)-3-hydroxy-2-(1-oxohexadecylamino)-4-octadecynoic acid ethyl ester IUPAC Name: ethyl (2R,3R)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-ynoate Traditional Name: (2R,3R)-3-hydroxy-2-palmitamido-octadec-4-ynoic acid ethyl ester Formula: C36H67NO4 MolecularWeight: 577.92148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(C(C#CCCCCCCCCCCCCC)O)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@H]([C@@H](C#CCCCCCCCCCCCCC)O)C(=O)OCC

InChI

InChI=1S/C36H67NO4/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33(38)35(36(40)41-6-3)37-34(39)32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h33,35,38H,4-28,30,32H2,1-3H3,(H,37,39)/t33-,35-/m1/s1