FOB
Summary
| Name: | [(1R)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid |
| Formula: | C10 H15 N2 O5 P |
| Formal charge: | 0 |
| Formula weight: | 274.21 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R)-3-[acetyl(hydroxy)amino]-1-(pyridin-4-yl)propyl]phosphonic acid |
| OpenEye OEToolkits | 1.7.6 | [(1R)-3-[ethanoyl(oxidanyl)amino]-1-pyridin-4-yl-propyl]phosphonic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(O)CCC(c1ccncc1)P(=O)(O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C10H15N2O5P/c1-8(13)12(14)7-4-10(18(15,16)17)9-2-5-11-6-3-9/h2-3,5-6,10,14H,4,7H2,1H3,(H2,15,16,17)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | AMWIPWYKSYZXGB-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N(O)CC[C@H](c1ccncc1)[P](O)(O)=O |
| SMILES | CACTVS | 3.370 | CC(=O)N(O)CC[CH](c1ccncc1)[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N(CC[C@H](c1ccncc1)P(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)N(CCC(c1ccncc1)P(=O)(O)O)O |
