Molecule ID: 134716591

IUPAC Name: 2-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-N,N'-bis[2-[bis[2-(2-aminoethylamino)-2-oxoethyl]amino]ethyl]propanediamide

Description: The molecule is a dendrimer macromolecule consisting of a malonamide core, each N of which carries a 2-(bis{2-[(2-aminoethyl)amino]-2-oxoethyl}amino)ethyl branch and with a 2-[2-(2-azidoethoxy)ethoxy]ethyl substituent at C-2.

SMILES: [N-]=[N+]=NCCOCCOCCC(C(O)=NCCN(CC(O)=NCCN)CC(O)=NCCN)C(O)=NCCN(CC(O)=NCCN)CC(O)=NCCN

SELFIES: [N-1][=N+1][=N][C][C][O][C][C][O][C][C][C][Branch2][Ring1][=N][C][Branch1][C][O][=N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][O][=N][C][C][N][C][C][Branch1][C][O][=N][C][C][N][C][Branch1][C][O][=N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][O][=N][C][C][N][C][C][Branch1][C][O][=N][C][C][N]

InChI: InChI=1S/C29H59N15O8/c30-2-6-35-24(45)19-43(20-25(46)36-7-3-31)13-10-39-28(49)23(1-15-51-17-18-52-16-12-41-42-34)29(50)40-11-14-44(21-26(47)37-8-4-32)22-27(48)38-9-5-33/h23H,1-22,30-33H2,(H,35,45)(H,36,46)(H,37,47)(H,38,48)(H,39,49)(H,40,50)

Molecular Properties:
- Polar Surface Area: 318.0 Ų
- LogP: -6.3