X57
Summary
| Name: | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid |
| Formula: | C10 H14 F N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 275.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[[(3~{R},6~{S})-6-aminocarbonyl-1-methanoyl-4-methyl-3,6-dihydro-2~{H}-pyridin-3-yl]amino]oxy-2-fluoranyl-ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C1C=C(C)C(NOC(C(=O)O)F)CN1C=O)N |
| InChI | InChI | 1.03 | InChI=1S/C10H14FN3O5/c1-5-2-7(9(12)16)14(4-15)3-6(5)13-19-8(11)10(17)18/h2,4,6-8,13H,3H2,1H3,(H2,12,16)(H,17,18)/t6-,7-,8-/m0/s1 |
| InChIKey | InChI | 1.03 | NOCLDVJNWBTORY-FXQIFTODSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=C[C@H](N(C[C@@H]1NO[C@H](F)C(O)=O)C=O)C(N)=O |
| SMILES | CACTVS | 3.385 | CC1=C[CH](N(C[CH]1NO[CH](F)C(O)=O)C=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C[C@H](N(C[C@@H]1NO[C@@H](C(=O)O)F)C=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=CC(N(CC1NOC(C(=O)O)F)C=O)C(=O)N |
