KFP

N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine

Created:2013-03-25
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count43
Aromatic Bond Count6
2D diagram of KFP

Chemical Component Summary

NameN~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine
Systematic Name (OpenEye OEToolkits)(2R)-2-azanyl-6-[(2-azanyl-4-oxidanylidene-3H-pteridin-6-yl)methylamino]hexanoic acid
FormulaC13 H19 N7 O3
Molecular Weight321.335
TypeD-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N)CCCCNCc2nc1c(N=C(N)NC1=O)nc2
SMILESCACTVS3.370N[CH](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O
SMILESOpenEye OEToolkits1.7.6c1c(nc2c(n1)N=C(NC2=O)N)CNCCCCC(C(=O)O)N
Canonical SMILESCACTVS3.370 N[C@H](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.6 c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C13H19N7O3/c14-8(12(22)23)3-1-2-4-16-5-7-6-17-10-9(18-7)11(21)20-13(15)19-10/h6,8,16H,1-5,14H2,(H,22,23)(H3,15,17,19,20,21)/t8-/m1/s1
InChIKeyInChI1.03 VSWOPALBOJUOOW-MRVPVSSYSA-N

Related Resource References

Resource NameReference
PubChem 72551540, 136259617
ChEBI CHEBI:76630