N,N'-bis(2-azanylethyl)-2-[[3-(dioctadecylamino)-3-oxidanylidene-propyl]sulfanylmethyl]pentanediamide

Systemtic Name: N,N'-bis(2-azanylethyl)-2-[[3-(dioctadecylamino)-3-oxidanylidene-propyl]sulfanylmethyl]pentanediamide Openeye Name: N,N'-bis(2-aminoethyl)-2-[[3-(dioctadecylamino)-3-oxo-propyl]sulfanylmethyl]pentanediamide CAS Name: N,N'-bis(2-aminoethyl)-2-[[[3-(dioctadecylamino)-3-oxopropyl]thio]methyl]pentanediamide IUPAC Name: N,N'-bis(2-aminoethyl)-2-[[3-(dioctadecylamino)-3-oxopropyl]sulfanylmethyl]pentanediamide Traditional Name: N,N'-bis(2-aminoethyl)-2-[[[3-(distearylamino)-3-keto-propyl]thio]methyl]glutaramide Formula: C49H99N5O3S MolecularWeight: 838.40706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCSCC(CCC(=O)NCCN)C(=O)NCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CCSCC(CCC(=O)NCCN)C(=O)NCCN

InChI

InChI=1S/C49H99N5O3S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42-54(43-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48(56)37-44-58-45-46(49(57)53-41-39-51)35-36-47(55)52-40-38-50/h46H,3-45,50-51H2,1-2H3,(H,52,55)(H,53,57)