tritert-butyl 1-azanyl-4-[6-[6-(4-azanylbutylamino)hexylamino]hexylamino]butane-1,1,2-tricarboxylate

Systemtic Name: tritert-butyl 1-azanyl-4-[6-[6-(4-azanylbutylamino)hexylamino]hexylamino]butane-1,1,2-tricarboxylate Openeye Name: tritert-butyl 1-amino-4-[6-[6-(4-aminobutylamino)hexylamino]hexylamino]butane-1,1,2-tricarboxylate CAS Name: 1-amino-4-[6-[6-(4-aminobutylamino)hexylamino]hexylamino]butane-1,1,2-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 1-amino-4-[6-[6-(4-aminobutylamino)hexylamino]hexylamino]butane-1,1,2-tricarboxylate Traditional Name: 1-amino-4-[6-[6-(4-aminobutylamino)hexylamino]hexylamino]butane-1,1,2-tricarboxylic acid tritert-butyl ester Formula: C35H71N5O6 MolecularWeight: 657.96814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H71N5O6/c1-32(2,3)44-29(41)28(35(37,30(42)45-33(4,5)6)31(43)46-34(7,8)9)20-27-40-25-18-13-12-16-23-38-22-15-10-11-17-24-39-26-19-14-21-36/h28,38-40H,10-27,36-37H2,1-9H3