2,2-dimethyl-N-[(E,2S,3R)-3-oxidanyl-1-(pyridin-4-ylmethylcarbamoylamino)octadec-4-en-2-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[(E,2S,3R)-3-oxidanyl-1-(pyridin-4-ylmethylcarbamoylamino)octadec-4-en-2-yl]propanamide Openeye Name: N-[(E,1S,2R)-2-hydroxy-1-[(4-pyridylmethylcarbamoylamino)methyl]heptadec-3-enyl]-2,2-dimethyl-propanamide CAS Name: N-[(E,2S,3R)-3-hydroxy-1-[[oxo-(pyridin-4-ylmethylamino)methyl]amino]octadec-4-en-2-yl]-2,2-dimethylpropanamide IUPAC Name: N-[(E,2S,3R)-3-hydroxy-1-(pyridin-4-ylmethylcarbamoylamino)octadec-4-en-2-yl]-2,2-dimethylpropanamide Traditional Name: N-[(E,1S,2R)-2-hydroxy-1-[(4-pyridylmethylcarbamoylamino)methyl]heptadec-3-enyl]-2,2-dimethyl-propionamide Formula: C30H52N4O3 MolecularWeight: 516.75888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CNC(=O)NCC1=CC=NC=C1)NC(=O)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CNC(=O)NCC1=CC=NC=C1)NC(=O)C(C)(C)C)O

InChI

InChI=1S/C30H52N4O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(35)26(34-28(36)30(2,3)4)24-33-29(37)32-23-25-19-21-31-22-20-25/h17-22,26-27,35H,5-16,23-24H2,1-4H3,(H,34,36)(H2,32,33,37)/b18-17+/t26-,27+/m0/s1