Molecule ID: 24883429

IUPAC Name: N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide;hydron;methanesulfonate

Description: The molecule is a methanesulfonate salt. It has a role as an iron chelator and an antidote. It contains a desferrioxamine B.

SMILES: CC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN=C(O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O

SELFIES: [C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][Branch1][C][O][C][C][C][C][C][N].[C][S][=Branch1][C][=O][=Branch1][C][=O][O]

InChI: InChI=1S/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4)

Molecular Properties:
- Polar Surface Area: 271.0 Ų
- LogP: nan