tritert-butyl 1-azanyl-2-[4-[6-(2-azanylethylamino)hexylamino]butylamino]ethane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-2-[4-[6-(2-azanylethylamino)hexylamino]butylamino]ethane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-2-[4-[6-(2-aminoethylamino)hexylamino]butylamino]ethane-1,1,2-tricarboxylate CAS Name: 1-amino-2-[4-[6-(2-aminoethylamino)hexylamino]butylamino]ethane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-2-[4-[6-(2-aminoethylamino)hexylamino]butylamino]ethane-1,1,2-tricarboxylate Traditional Name: 1-amino-2-[4-[6-(2-aminoethylamino)hexylamino]butylamino]ethane-1,1,2-tricarboxylic acid tritert-butyl ester Formula: C29H59N5O6 MolecularWeight: 573.80866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H59N5O6/c1-26(2,3)38-23(35)22(29(31,24(36)39-27(4,5)6)25(37)40-28(7,8)9)34-20-15-14-19-32-17-12-10-11-13-18-33-21-16-30/h22,32-34H,10-21,30-31H2,1-9H3