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SummaryGeometryRelated PDB entries

B5L

Summary
Name:N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
Synonyms:N4-bis(aminopropyl)spermidine
Formula:C13 H38 N5
Formal charge:5
Formula weight:264.474 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~1~,N~1~,N~1~-tris(3-azaniumylpropyl)butane-1,4-diaminium
OpenEye OEToolkits2.0.64-azaniumylbutyl-tris(3-azaniumylpropyl)azanium

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C([N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])CCC[NH3+]
InChIInChI1.03InChI=1S/C13H34N5/c14-6-1-2-10-18(11-3-7-15,12-4-8-16)13-5-9-17/h1-17H2/q+1/p+4
InChIKeyInChI1.03FMTAVYOBEGHWPT-UHFFFAOYSA-R
SMILES_CANONICALCACTVS3.385[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]
SMILESCACTVS3.385[NH3+]CCCC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+]
SMILES_CANONICALOpenEye OEToolkits2.0.6C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+]
SMILESOpenEye OEToolkits2.0.6C(CC[N+](CCC[NH3+])(CCC[NH3+])CCC[NH3+])C[NH3+]

218853

PDB entries from 2024-04-24

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