N1,N3,N5-tris(2-azanylethyl)-6-(2,3-dioctadecoxypropylsulfanyl)hexane-1,3,5-tricarboxamide

Systemtic Name: N1,N3,N5-tris(2-azanylethyl)-6-(2,3-dioctadecoxypropylsulfanyl)hexane-1,3,5-tricarboxamide Openeye Name: N1,N3,N5-tris(2-aminoethyl)-6-(2,3-dioctadecoxypropylsulfanyl)hexane-1,3,5-tricarboxamide CAS Name: N1,N3,N5-tris(2-aminoethyl)-6-(2,3-dioctadecoxypropylthio)hexane-1,3,5-tricarboxamide IUPAC Name: 1-N,3-N,5-N-tris(2-aminoethyl)-6-(2,3-dioctadecoxypropylsulfanyl)hexane-1,3,5-tricarboxamide Traditional Name: N1,N3,N5-tris(2-aminoethyl)-6-(2,3-distearyloxypropylthio)hexane-1,3,5-tricarboxamide Formula: C54H110N6O5S MolecularWeight: 955.5534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSCC(CC(CCC(=O)NCCN)C(=O)NCCN)C(=O)NCCN)OCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSCC(CC(CCC(=O)NCCN)C(=O)NCCN)C(=O)NCCN)OCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C54H110N6O5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-64-46-51(65-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)48-66-47-50(54(63)60-42-39-57)45-49(53(62)59-41-38-56)35-36-52(61)58-40-37-55/h49-51H,3-48,55-57H2,1-2H3,(H,58,61)(H,59,62)(H,60,63)