[1-azanyl-2-(octadecanoylamino)butan-2-yl] octadecanoate

Systemtic Name: [1-azanyl-2-(octadecanoylamino)butan-2-yl] octadecanoate Openeye Name: [1-(aminomethyl)-1-(octadecanoylamino)propyl] octadecanoate CAS Name: octadecanoic acid [1-amino-2-(1-oxooctadecylamino)butan-2-yl] ester IUPAC Name: [1-amino-2-(octadecanoylamino)butan-2-yl] octadecanoate Traditional Name: stearic acid [1-(aminomethyl)-1-stearamido-propyl] ester Formula: C40H80N2O3 MolecularWeight: 637.0748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CC)(CN)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CC)(CN)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C40H80N2O3/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38(43)42-40(6-3,37-41)45-39(44)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-37,41H2,1-3H3,(H,42,43)