9U0
Summary
| Name: | N6-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine |
| Formula: | C15 H26 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 298.378 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~6~-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-azanyl-6-(cyclooct-2-en-1-yloxycarbonylamino)hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C=1C(CCCCCC=1)OC(NCCCCC(C(O)=O)N)=O |
| InChI | InChI | 1.03 | InChI=1S/C15H26N2O4/c16-13(14(18)19)10-6-7-11-17-15(20)21-12-8-4-2-1-3-5-9-12/h4,8,12-13H,1-3,5-7,9-11,16H2,(H,17,20)(H,18,19)/t12-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | RIPRFLAPFPCYBY-OLZOCXBDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCCCNC(=O)O[C@H]/1CCCCC\C=C/1)C(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](CCCCNC(=O)O[CH]1CCCCCC=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCC=CC(CC1)OC(=O)NCCCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCC=CC(CC1)OC(=O)NCCCCC(C(=O)O)N |
