[(2S,3R)-2-(2,2-dimethylpropanoylamino)-3-oxidanyl-octadecyl] N-(pyridin-4-ylmethyl)carbamate

Systemtic Name: [(2S,3R)-2-(2,2-dimethylpropanoylamino)-3-oxidanyl-octadecyl] N-(pyridin-4-ylmethyl)carbamate Openeye Name: [(2S,3R)-2-(2,2-dimethylpropanoylamino)-3-hydroxy-octadecyl] N-(4-pyridylmethyl)carbamate CAS Name: N-(pyridin-4-ylmethyl)carbamic acid [(2S,3R)-2-[(2,2-dimethyl-1-oxopropyl)amino]-3-hydroxyoctadecyl] ester IUPAC Name: [(2S,3R)-2-(2,2-dimethylpropanoylamino)-3-hydroxyoctadecyl] N-(pyridin-4-ylmethyl)carbamate Traditional Name: N-(4-pyridylmethyl)carbamic acid [(2S,3R)-3-hydroxy-2-(pivaloylamino)octadecyl] ester Formula: C30H53N3O4 MolecularWeight: 519.75952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(COC(=O)NCC1=CC=NC=C1)NC(=O)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCC[C@H]([C@H](COC(=O)NCC1=CC=NC=C1)NC(=O)C(C)(C)C)O

InChI

InChI=1S/C30H53N3O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(34)26(33-28(35)30(2,3)4)24-37-29(36)32-23-25-19-21-31-22-20-25/h19-22,26-27,34H,5-18,23-24H2,1-4H3,(H,32,36)(H,33,35)/t26-,27+/m0/s1