[(E)-octadec-9-enyl] 5-azanyl-2-(octadecanoylamino)pentanoate

Systemtic Name: [(E)-octadec-9-enyl] 5-azanyl-2-(octadecanoylamino)pentanoate Openeye Name: [(E)-octadec-9-enyl] 5-amino-2-(octadecanoylamino)pentanoate CAS Name: 5-amino-2-(1-oxooctadecylamino)pentanoic acid [(E)-octadec-9-enyl] ester IUPAC Name: [(E)-octadec-9-enyl] 5-amino-2-(octadecanoylamino)pentanoate Traditional Name: 5-amino-2-stearamido-valeric acid [(E)-octadec-9-enyl] ester Formula: C41H80N2O3 MolecularWeight: 649.0855

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCCN)C(=O)OCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C41H80N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-46-41(45)39(35-34-37-42)43-40(44)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,39H,3-16,18,20-38,42H2,1-2H3,(H,43,44)/b19-17+