1J1
Summary
| Name: | N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine |
| Synonyms: | pyrroline-carboxy-lysine PCL |
| Formula: | C11 H19 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 241.287 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-[(2R)-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]-L-lysine |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-azanyl-6-[[(2R)-3,4-dihydro-2H-pyrrol-2-yl]carbonylamino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCCCC(C(=O)O)N)C1N=CCC1 |
| InChI | InChI | 1.03 | InChI=1S/C11H19N3O3/c12-8(11(16)17)4-1-2-6-14-10(15)9-5-3-7-13-9/h7-9H,1-6,12H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1 |
| InChIKey | InChI | 1.03 | HFVPBQOSFYXKQZ-DTWKUNHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](CCCCNC(=O)[C@H]1CCC=N1)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](CCCCNC(=O)[CH]1CCC=N1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1C[C@@H](N=C1)C(=O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CC(N=C1)C(=O)NCCCCC(C(=O)O)N |
