tritert-butyl 1-azanyl-2-[7-[8-(2-azanylethylamino)octylamino]heptylamino]ethane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-2-[7-[8-(2-azanylethylamino)octylamino]heptylamino]ethane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-2-[7-[8-(2-aminoethylamino)octylamino]heptylamino]ethane-1,1,2-tricarboxylate CAS Name: 1-amino-2-[7-[8-(2-aminoethylamino)octylamino]heptylamino]ethane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-2-[7-[8-(2-aminoethylamino)octylamino]heptylamino]ethane-1,1,2-tricarboxylate Traditional Name: 1-amino-2-[7-[8-(2-aminoethylamino)octylamino]heptylamino]ethane-1,1,2-tricarboxylic acid tritert-butyl ester Formula: C34H69N5O6 MolecularWeight: 643.94156

Click to see the large picture

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)NCCCCCCCNCCCCCCCCNCCN

Isomeric SMILES

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

InChI

InChI=1S/C34H69N5O6/c1-31(2,3)43-28(40)27(34(36,29(41)44-32(4,5)6)30(42)45-33(7,8)9)39-25-20-16-12-15-18-23-37-22-17-13-10-11-14-19-24-38-26-21-35/h27,37-39H,10-26,35-36H2,1-9H3