KCR
Summary
| Name: | N-6-crotonyl-L-lysine |
| Formula: | C10 H18 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 214.262 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-[(2E)-but-2-enoyl]-L-lysine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-6-[[(E)-but-2-enoyl]amino]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C(O)=O)CCCCNC(=O)[C@H]=[C@H]C |
| InChI | InChI | 1.03 | InChI=1S/C10H18N2O3/c1-2-5-9(13)12-7-4-3-6-8(11)10(14)15/h2,5,8H,3-4,6-7,11H2,1H3,(H,12,13)(H,14,15)/b5-2+/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | IZHPCCLNIDDVFG-NCJLJLRUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C\C=C\C(=O)NCCCC[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.385 | CC=CC(=O)NCCCC[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C/C=C/C(=O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC=CC(=O)NCCCCC(C(=O)O)N |
