tritert-butyl 1-azanyl-7-[2-[2-(7-azanylheptylamino)ethylamino]ethylamino]heptane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-7-[2-[2-(7-azanylheptylamino)ethylamino]ethylamino]heptane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-7-[2-[2-(7-aminoheptylamino)ethylamino]ethylamino]heptane-1,1,2-tricarboxylate CAS Name: 1-amino-7-[2-[2-(7-aminoheptylamino)ethylamino]ethylamino]heptane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-7-[2-[2-(7-aminoheptylamino)ethylamino]ethylamino]heptane-1,1,2-tricarboxylate Traditional Name: 1-amino-7-[2-[2-(7-aminoheptylamino)ethylamino]ethylamino]heptane-1,1,2-tricarboxylic acid tritert-butyl ester Formula: C33H67N5O6 MolecularWeight: 629.91498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H67N5O6/c1-30(2,3)42-27(39)26(33(35,28(40)43-31(4,5)6)29(41)44-32(7,8)9)18-14-13-17-21-37-23-25-38-24-22-36-20-16-12-10-11-15-19-34/h26,36-38H,10-25,34-35H2,1-9H3