tritert-butyl 1-azanyl-4-[2-[2-(4-azanylbutylamino)ethylamino]ethylamino]butane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-4-[2-[2-(4-azanylbutylamino)ethylamino]ethylamino]butane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-4-[2-[2-(4-aminobutylamino)ethylamino]ethylamino]butane-1,1,2-tricarboxylate CAS Name: 1-amino-4-[2-[2-(4-aminobutylamino)ethylamino]ethylamino]butane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-4-[2-[2-(4-aminobutylamino)ethylamino]ethylamino]butane-1,1,2-tricarboxylate Traditional Name: 1-amino-4-[2-[2-(4-aminobutylamino)ethylamino]ethylamino]butane-1,1,2-tricarboxylic acid tritert-butyl ester Formula: C27H55N5O6 MolecularWeight: 545.7555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H55N5O6/c1-24(2,3)36-21(33)20(12-15-31-17-19-32-18-16-30-14-11-10-13-28)27(29,22(34)37-25(4,5)6)23(35)38-26(7,8)9/h20,30-32H,10-19,28-29H2,1-9H3