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9RI

Summary
Name:(2S)-2-amino-6-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl](methyl)amino}hexanal
Formula:C14 H26 N2 O2
Formal charge:0
Formula weight:254.368 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~6~-[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]-N~6~-methyl-L-lysine
OpenEye OEToolkits2.0.7(2~{S})-2-azanyl-6-[[(1~{S},2~{S},4~{R})-2-bicyclo[2.2.1]heptanyl]-methyl-amino]hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(CCCCC(N)C(=O)O)C1CC2CCC1C2
InChIInChI1.03InChI=1S/C14H26N2O2/c1-16(7-3-2-4-12(15)14(17)18)13-9-10-5-6-11(13)8-10/h10-13H,2-9,15H2,1H3,(H,17,18)/t10-,11+,12+,13+/m1/s1
InChIKeyInChI1.03MTHLDISTJBLADT-VOAKCMCISA-N
SMILES_CANONICALCACTVS3.385CN(CCCC[C@H](N)C(O)=O)[C@H]1C[C@@H]2CC[C@H]1C2
SMILESCACTVS3.385CN(CCCC[CH](N)C(O)=O)[CH]1C[CH]2CC[CH]1C2
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(CCCC[C@@H](C(=O)O)N)[C@H]1C[C@@H]2CC[C@H]1C2
SMILESOpenEye OEToolkits2.0.7CN(CCCCC(C(=O)O)N)C1CC2CCC1C2

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PDB entries from 2024-07-10

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