tritert-butyl 1-azanyl-6-[6-[6-(6-azanylhexylamino)hexylamino]hexylamino]hexane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-6-[6-[6-(6-azanylhexylamino)hexylamino]hexylamino]hexane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-6-[6-[6-(6-aminohexylamino)hexylamino]hexylamino]hexane-1,1,2-tricarboxylate CAS Name: 1-amino-6-[6-[6-(6-aminohexylamino)hexylamino]hexylamino]hexane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-6-[6-[6-(6-aminohexylamino)hexylamino]hexylamino]hexane-1,1,2-tricarboxylate Traditional Name: 1-amino-6-[6-[6-(6-aminohexylamino)hexylamino]hexylamino]hexane-1,1,2-tricarboxylic acid tritert-butyl ester Formula: C39H79N5O6 MolecularWeight: 714.07446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H79N5O6/c1-36(2,3)48-33(45)32(39(41,34(46)49-37(4,5)6)35(47)50-38(7,8)9)24-16-23-31-44-30-22-15-14-21-29-43-28-20-13-12-19-27-42-26-18-11-10-17-25-40/h32,42-44H,10-31,40-41H2,1-9H3