[(2S,3S)-2-benzamido-1-oxidanyl-octadec-4-yn-3-yl] methyl carbonate

Systemtic Name: [(2S,3S)-2-benzamido-1-oxidanyl-octadec-4-yn-3-yl] methyl carbonate Openeye Name: [(1S)-1-[(1S)-1-benzamido-2-hydroxy-ethyl]hexadec-2-ynyl] methyl carbonate CAS Name: carbonic acid [(2S,3S)-2-benzamido-1-hydroxyoctadec-4-yn-3-yl] methyl ester IUPAC Name: [(2S,3S)-2-benzamido-1-hydroxyoctadec-4-yn-3-yl] methyl carbonate Traditional Name: carbonic acid [(1S)-1-[(1S)-1-benzamido-2-hydroxy-ethyl]hexadec-2-ynyl] methyl ester Formula: C27H41NO5 MolecularWeight: 459.61814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC#CC(C(CO)NC(=O)C1=CC=CC=C1)OC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCC#C[C@@H]([C@H](CO)NC(=O)C1=CC=CC=C1)OC(=O)OC

InChI

InChI=1S/C27H41NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(33-27(31)32-2)24(22-29)28-26(30)23-19-16-15-17-20-23/h15-17,19-20,24-25,29H,3-14,22H2,1-2H3,(H,28,30)/t24-,25-/m0/s1