2-[2-[3-[4-(3-azanylpropylamino)butylamino]propylamino]ethanoylamino]-3-[[2-[2-[3-[4-(3-azanylpropylamino)butylamino]propylamino]ethanoylamino]-3-(octadecylamino)-3-oxidanylidene-propyl]disulfanyl]-N-octadecyl-propanamide

Systemtic Name: 2-[2-[3-[4-(3-azanylpropylamino)butylamino]propylamino]ethanoylamino]-3-[[2-[2-[3-[4-(3-azanylpropylamino)butylamino]propylamino]ethanoylamino]-3-(octadecylamino)-3-oxidanylidene-propyl]disulfanyl]-N-octadecyl-propanamide Openeye Name: 2-[[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetyl]amino]-3-[[2-[[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetyl]amino]-3-(octadecylamino)-3-oxo-propyl]disulfanyl]-N-octadecyl-propanamide CAS Name: 2-[[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-oxoethyl]amino]-3-[[2-[[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-oxoethyl]amino]-3-(octadecylamino)-3-oxopropyl]disulfanyl]-N-octadecylpropanamide IUPAC Name: 2-[[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetyl]amino]-3-[[2-[[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetyl]amino]-3-(octadecylamino)-3-oxopropyl]disulfanyl]-N-octadecylpropanamide Traditional Name: 2-[[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetyl]amino]-3-[[2-[[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]acetyl]amino]-3-keto-3-(stearylamino)propyl]disulfanyl]-N-stearyl-propionamide Formula: C66H138N12O4S2 MolecularWeight: 1228.00992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C(CSSCC(C(=O)NCCCCCCCCCCCCCCCCCC)NC(=O)CNCCCNCCCCNCCCN)NC(=O)CNCCCNCCCCNCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C(CSSCC(C(=O)NCCCCCCCCCCCCCCCCCC)NC(=O)CNCCCNCCCCNCCCN)NC(=O)CNCCCNCCCCNCCCN

InChI

InChI=1S/C66H138N12O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-55-75-65(81)61(77-63(79)57-73-53-41-51-71-47-37-35-45-69-49-39-43-67)59-83-84-60-62(78-64(80)58-74-54-42-52-72-48-38-36-46-70-50-40-44-68)66(82)76-56-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h61-62,69-74H,3-60,67-68H2,1-2H3,(H,75,81)(H,76,82)(H,77,79)(H,78,80)