Molecule ID: 9828474

IUPAC Name: N'-(5-aminopentyl)-N'-hydroxy-N-[5-[hydroxy-[4-(5-nitropentylamino)-4-oxobutanoyl]amino]pentyl]butanediamide

Description: The molecule is a C-nitro compound isolated from Streptoalloteichus sp.1454-19. It is a siderophore which exhibits immunosuppressive activity on a mixed lymphocyte culture reaction (MLCR). It has a role as a metabolite, an antimicrobial agent and an immunosuppressive agent. It is a C-nitro compound, a hydroxamic acid and a primary amino compound.

SMILES: NCCCCCN(O)C(=O)CCC(O)=NCCCCCN(O)C(=O)CCC(O)=NCCCCC[N+](=O)[O-]

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

InChI: InChI=1S/C23H44N6O8/c24-14-4-1-7-17-27(34)22(32)12-10-20(30)25-15-5-2-8-18-28(35)23(33)13-11-21(31)26-16-6-3-9-19-29(36)37/h34-35H,1-19,24H2,(H,25,30)(H,26,31)

Molecular Properties:
- Polar Surface Area: 211.0 Ų
- LogP: -1.3