[(2S,4S)-4-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-ethanoyl-N-(pyridin-2-ylmethyl)carbamate

Systemtic Name: [(2S,4S)-4-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-ethanoyl-N-(pyridin-2-ylmethyl)carbamate Openeye Name: [(2S,4S)-4-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-(2-pyridylmethyl)carbamate CAS Name: N-acetyl-N-(2-pyridinylmethyl)carbamic acid [(2S,4S)-4-[[(octadecylamino)-oxomethoxy]methyl]-2-thietanyl]methyl ester IUPAC Name: [(2S,4S)-4-(octadecylcarbamoyloxymethyl)thietan-2-yl]methyl N-acetyl-N-(pyridin-2-ylmethyl)carbamate Traditional Name: N-acetyl-N-(2-pyridylmethyl)carbamic acid [(2S,4S)-4-(stearylcarbamoyloxymethyl)thietan-2-yl]methyl ester Formula: C33H55N3O5S MolecularWeight: 605.8719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1CC(S1)COC(=O)N(CC2=CC=CC=N2)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H]1C[C@H](S1)COC(=O)N(CC2=CC=CC=N2)C(=O)C

InChI

InChI=1S/C33H55N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-32(38)40-26-30-24-31(42-30)27-41-33(39)36(28(2)37)25-29-21-18-20-22-34-29/h18,20-22,30-31H,3-17,19,23-27H2,1-2H3,(H,35,38)/t30-,31-/m0/s1