tritert-butyl 1-azanyl-3-[2-[5-(3-azanylpropylamino)pentylamino]ethylamino]propane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-3-[2-[5-(3-azanylpropylamino)pentylamino]ethylamino]propane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-3-[2-[5-(3-aminopropylamino)pentylamino]ethylamino]propane-1,1,2-tricarboxylate CAS Name: 1-amino-3-[2-[5-(3-aminopropylamino)pentylamino]ethylamino]propane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-3-[2-[5-(3-aminopropylamino)pentylamino]ethylamino]propane-1,1,2-tricarboxylate Traditional Name: 1-amino-3-[2-[5-(3-aminopropylamino)pentylamino]ethylamino]propane-1,1,2-tricarboxylic acid tritert-butyl ester Formula: C28H57N5O6 MolecularWeight: 559.78208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H57N5O6/c1-25(2,3)37-22(34)21(20-33-19-18-32-16-12-10-11-15-31-17-13-14-29)28(30,23(35)38-26(4,5)6)24(36)39-27(7,8)9/h21,31-33H,10-20,29-30H2,1-9H3