KFP
Summary
| Name: | N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine |
| Formula: | C13 H19 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 321.335 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine |
| OpenEye OEToolkits | 1.7.6 | (2R)-2-azanyl-6-[(2-azanyl-4-oxidanylidene-3H-pteridin-6-yl)methylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CCCCNCc2nc1c(N=C(N)NC1=O)nc2 |
| 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 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@H](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(nc2c(n1)N=C(NC2=O)N)CNCCCCC(C(=O)O)N |
