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 | |
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| Formal Charge | 0 |
| Atom Count | 42 |
| Chiral Atom Count | 1 |
| Bond Count | 43 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | N~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 |
| Formula | C13 H19 N7 O3 |
| Molecular Weight | 321.335 |
| Type | D-PEPTIDE LINKING |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCCNCc2nc1c(N=C(N)NC1=O)nc2 |
| SMILES | CACTVS | 3.370 | N[CH](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nc2c(n1)N=C(NC2=O)N)CNCCCCC(C(=O)O)N |
| Canonical SMILES | CACTVS | 3.370 | N[C@H](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N |
| InChI | InChI | 1.03 | 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 |
| InChIKey | InChI | 1.03 | VSWOPALBOJUOOW-MRVPVSSYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 72551540, 136259617 |
| ChEBI | CHEBI:76630 |














