pentatriacontan-18-yl N-[2-[1,4-bis(3-azanylpropylamino)butoxycarbonylamino]ethyl]carbamate

Systemtic Name: pentatriacontan-18-yl N-[2-[1,4-bis(3-azanylpropylamino)butoxycarbonylamino]ethyl]carbamate Openeye Name: 1-heptadecyloctadecyl N-[2-[1,4-bis(3-aminopropylamino)butoxycarbonylamino]ethyl]carbamate CAS Name: N-[2-[[1,4-bis(3-aminopropylamino)butoxy-oxomethyl]amino]ethyl]carbamic acid pentatriacontan-18-yl ester IUPAC Name: pentatriacontan-18-yl N-[2-[1,4-bis(3-aminopropylamino)butoxycarbonylamino]ethyl]carbamate Traditional Name: N-[2-[1,4-bis(3-aminopropylamino)butoxycarbonylamino]ethyl]carbamic acid 1-heptadecyloctadecyl ester Formula: C49H102N6O4 MolecularWeight: 839.37198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OC(=O)NCCNC(=O)OC(CCCNCCCN)NCCCN

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OC(=O)NCCNC(=O)OC(CCCNCCCN)NCCCN

InChI

InChI=1S/C49H102N6O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-46(37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)58-48(56)54-44-45-55-49(57)59-47(53-43-35-40-51)38-33-41-52-42-34-39-50/h46-47,52-53H,3-45,50-51H2,1-2H3,(H,54,56)(H,55,57)