tritert-butyl 1-azanyl-6-[2-[5-(6-azanylhexylamino)pentylamino]ethylamino]hexane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-6-[2-[5-(6-azanylhexylamino)pentylamino]ethylamino]hexane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-6-[2-[5-(6-aminohexylamino)pentylamino]ethylamino]hexane-1,1,2-tricarboxylate CAS Name: 1-amino-6-[2-[5-(6-aminohexylamino)pentylamino]ethylamino]hexane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-6-[2-[5-(6-aminohexylamino)pentylamino]ethylamino]hexane-1,1,2-tricarboxylate Traditional Name: 1-amino-6-[2-[5-(6-aminohexylamino)pentylamino]ethylamino]hexane-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(CCCCNCCNCCCCCNCCCCCCN)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)N

Isomeric SMILES

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

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)19-13-18-24-39-26-25-38-23-17-12-16-22-37-21-15-11-10-14-20-35/h27,37-39H,10-26,35-36H2,1-9H3