tritert-butyl 1-azanyl-5-[7-[8-(5-azanylpentylamino)octylamino]heptylamino]pentane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-5-[7-[8-(5-azanylpentylamino)octylamino]heptylamino]pentane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-5-[7-[8-(5-aminopentylamino)octylamino]heptylamino]pentane-1,1,2-tricarboxylate CAS Name: 1-amino-5-[7-[8-(5-aminopentylamino)octylamino]heptylamino]pentane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-5-[7-[8-(5-aminopentylamino)octylamino]heptylamino]pentane-1,1,2-tricarboxylate Traditional Name: 1-amino-5-[7-[8-(5-aminopentylamino)octylamino]heptylamino]pentane-1,1,2-tricarboxylic acid tritert-butyl ester Formula: C40H81N5O6 MolecularWeight: 728.10104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H81N5O6/c1-37(2,3)49-34(46)33(40(42,35(47)50-38(4,5)6)36(48)51-39(7,8)9)25-24-32-45-30-22-16-12-15-21-29-43-27-19-13-10-11-14-20-28-44-31-23-17-18-26-41/h33,43-45H,10-32,41-42H2,1-9H3