N-(2-acetamidoethyl)-5-dodecan-2-yl-N'-methyl-12-octadecan-2-yl-hexadecanediamide

Systemtic Name: N-(2-acetamidoethyl)-5-dodecan-2-yl-N'-methyl-12-octadecan-2-yl-hexadecanediamide Openeye Name: N-(2-acetamidoethyl)-N'-methyl-12-(1-methylheptadecyl)-5-(1-methylundecyl)hexadecanediamide CAS Name: N-(2-acetamidoethyl)-5-dodecan-2-yl-N'-methyl-12-octadecan-2-ylhexadecanediamide IUPAC Name: N-(2-acetamidoethyl)-5-dodecan-2-yl-N'-methyl-12-octadecan-2-ylhexadecanediamide Traditional Name: N-(2-acetamidoethyl)-N'-methyl-12-(1-methylheptadecyl)-5-(1-methylundecyl)thapsamide Formula: C51H101N3O3 MolecularWeight: 804.36594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C(CCCCCCC(CCCC(=O)NCCNC(=O)C)C(C)CCCCCCCCCC)CCCC(=O)NC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C(CCCCCCC(CCCC(=O)NCCNC(=O)C)C(C)CCCCCCCCCC)CCCC(=O)NC

InChI

InChI=1S/C51H101N3O3/c1-7-9-11-13-15-17-18-19-20-21-22-24-26-30-35-45(3)48(39-33-41-50(56)52-6)37-31-27-28-32-38-49(40-34-42-51(57)54-44-43-53-47(5)55)46(4)36-29-25-23-16-14-12-10-8-2/h45-46,48-49H,7-44H2,1-6H3,(H,52,56)(H,53,55)(H,54,57)