N-[2-[bis[2-(octadecanoylamino)ethyl]carbamoyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide; ethanoic acid

Systemtic Name: N-[2-[bis[2-(octadecanoylamino)ethyl]carbamoyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide; ethanoic acid Openeye Name: acetic acid; N-[2-[bis[2-(octadecanoylamino)ethyl]carbamoyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide CAS Name: acetic acid; N-[2-[[[bis[2-(1-oxooctadecylamino)ethyl]amino]-oxomethyl]-[2-(1-oxooctadecylamino)ethyl]amino]ethyl]octadecanamide IUPAC Name: acetic acid; N-[2-[bis[2-(octadecanoylamino)ethyl]carbamoyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide Traditional Name: acetic acid; N-[2-[bis(2-stearamidoethyl)carbamoyl-(2-stearamidoethyl)amino]ethyl]stearamide Formula: C85H168N6O9 MolecularWeight: 1418.27822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCC)CCNC(=O)CCCCCCCCCCCCCCCCC.CC(=O)O.CC(=O)O

InChI

InChI=1S/C81H160N6O5.2C2H4O2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-77(88)82-69-73-86(74-70-83-78(89)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)81(92)87(75-71-84-79(90)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-72-85-80(91)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;2*1-2(3)4/h5-76H2,1-4H3,(H,82,88)(H,83,89)(H,84,90)(H,85,91);2*1H3,(H,3,4)