tritert-butyl 1-azanyl-8-[4-[6-(8-azanyloctylamino)hexylamino]butylamino]octane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-8-[4-[6-(8-azanyloctylamino)hexylamino]butylamino]octane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-8-[4-[6-(8-aminooctylamino)hexylamino]butylamino]octane-1,1,2-tricarboxylate CAS Name: 1-amino-8-[4-[6-(8-aminooctylamino)hexylamino]butylamino]octane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-8-[4-[6-(8-aminooctylamino)hexylamino]butylamino]octane-1,1,2-tricarboxylate Traditional Name: 1-amino-8-[4-[6-(8-aminooctylamino)hexylamino]butylamino]octane-1,1,2-tricarboxylic acid tritert-butyl ester Formula: C41H83N5O6 MolecularWeight: 742.12762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCCCNCCCCNCCCCCCNCCCCCCCCN)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CCCCCCNCCCCNCCCCCCNCCCCCCCCN)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)N

InChI

InChI=1S/C41H83N5O6/c1-38(2,3)50-35(47)34(41(43,36(48)51-39(4,5)6)37(49)52-40(7,8)9)26-18-12-15-21-29-45-32-24-25-33-46-31-23-17-16-22-30-44-28-20-14-11-10-13-19-27-42/h34,44-46H,10-33,42-43H2,1-9H3