| PDB CCD ID: | ENW |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C13 H23 F N2 O6 |
| InChI: | InChI=1S/C13H23FN2O6/c1-13(2,8-17)11(20)12(21)16-4-3-9(18)15-5-6-22-10(19)7-14/h11,17,20H,3-8H2,1-2H3,(H,15,18)(H,16,21)/t11-/m1/s1 |
| InChIKey: | ONWRIDRSVIZQIL-LLVKDONJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CC(C)(CO)[C@@H](C(=O)NCCC(=O)NCCOC(=O)CF)O | | OpenEye OEToolkits 1.7.0 | CC(C)(CO)C(C(=O)NCCC(=O)NCCOC(=O)CF)O | | CACTVS 3.370 | CC(C)(CO)[C@H](O)C(=O)NCCC(=O)NCCOC(=O)CF | | ACDLabs 12.01 | O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CF | | CACTVS 3.370 | CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCOC(=O)CF |
|
| Name: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate;
Fluoroacetyl oxa(dethia)-pantetheine |
| ZINC: | ZINC000058650414 |
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