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74P

Summary
Name:(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine
Formula:C11 H18 N2 O5
Formal charge:0
Formula weight:258.271 Da
Component type:L-peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine
OpenEye OEToolkits2.0.5(2~{S})-2-azanyl-6-[(~{E})-[1-oxidanyl-1,4-bis(oxidanylidene)pentan-2-ylidene]amino]hexanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(C/C(=N\CCCCC(N)C(O)=O)C(=O)O)(C)=O
InChIInChI1.03InChI=1S/C11H18N2O5/c1-7(14)6-9(11(17)18)13-5-3-2-4-8(12)10(15)16/h8H,2-6,12H2,1H3,(H,15,16)(H,17,18)/b13-9+/t8-/m0/s1
InChIKeyInChI1.03ODHRWAKMKXIGDP-AXPYHWFSSA-N
SMILES_CANONICALCACTVS3.385CC(=O)CC(=NCCCC[C@H](N)C(O)=O)C(O)=O
SMILESCACTVS3.385CC(=O)CC(=NCCCC[CH](N)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.5CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O
SMILESOpenEye OEToolkits2.0.5CC(=O)CC(=NCCCCC(C(=O)O)N)C(=O)O

225946

PDB entries from 2024-10-09

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