ENV
Summary
| Name: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide |
| Synonyms: | Fluoroacetyl carba(dethia)-pantetheine |
| Formula: | C14 H25 F N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 320.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide |
| OpenEye OEToolkits | 1.7.0 | (2R)-N-[3-[(5-fluoro-4-oxo-pentyl)amino]-3-oxo-propyl]-2,4-dihydroxy-3,3-dimethyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NCCC(=O)NCCCC(=O)CF)C(O)C(C)(C)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)NCCCC(=O)CF |
| SMILES | CACTVS | 3.370 | CC(C)(CO)[CH](O)C(=O)NCCC(=O)NCCCC(=O)CF |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)(CO)[C@H](C(=O)NCCC(=O)NCCCC(=O)CF)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)(CO)C(C(=O)NCCC(=O)NCCCC(=O)CF)O |
| InChI | InChI | 1.03 | InChI=1S/C14H25FN2O5/c1-14(2,9-18)12(21)13(22)17-7-5-11(20)16-6-3-4-10(19)8-15/h12,18,21H,3-9H2,1-2H3,(H,16,20)(H,17,22)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | FTHCNOQGZZPFFG-LBPRGKRZSA-N |
