[3-(2-azanylethanoylamino)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [3-(2-azanylethanoylamino)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [3-[(2-aminoacetyl)amino]-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-[(2-amino-1-oxoethyl)amino]-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-[(2-aminoacetyl)amino]-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-(glycylamino)-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C41H76N2O5 MolecularWeight: 677.05254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CNC(=O)CN)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CNC(=O)CN)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C41H76N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(45)47-37-38(36-43-39(44)35-42)48-41(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38H,3-16,21-37,42H2,1-2H3,(H,43,44)/b19-17+,20-18+