Structure Database (LMSD)
Common Name
IC202B
Systematic Name
N-(5-aminopentyl)-N-hydroxy-N'-[5-(hydroxy{4-[(5-nitropentyl)amino]-4-oxobutanoyl}amino)pentyl]butanediamide
Synonyms
3D model of IC202B
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
BHNYEXHOBOECJW-UHFFFAOYSA-N
InChi (Click to copy)
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)
SMILES (Click to copy)
C(N)CCCCN(O)C(CCC(=O)NCCCCCN(C(=O)CCC(=O)NCCCCC[N+](=O)[O-])O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
0
Aromatic Rings
0
Rotatable Bonds
23
Van der Waals Molecular Volume
529.58
Topological Polar Surface Area
208.44
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
11
logP
3.01
Molar Refractivity
136.62
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Created at
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Updated at
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