NIR
Summary
| Name: | 3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-DIHYDROXY-5-METHYLTETRAHYDRO-2-FURANYL]PYRIDINIUM |
| Formula: | C11 H18 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 242.272 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-1-(5-deoxy-alpha-D-ribofuranosyl)-1,2,3,6-tetrahydropyridine-3-carboxamide |
| OpenEye OEToolkits | 1.5.0 | 1-[(3R,4S,5R)-3,4-dihydroxy-5-methyl-oxolan-2-yl]-3,6-dihydro-2H-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)C1C=CCN(C1)C2OC(C(O)C2O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N2CC=C[C@@H](C2)C(N)=O |
| SMILES | CACTVS | 3.341 | C[CH]1O[CH]([CH](O)[CH]1O)N2CC=C[CH](C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@H]([C@H](C(O1)N2CC=CC(C2)C(=O)N)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(O1)N2CC=CC(C2)C(=O)N)O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H18N2O4/c1-6-8(14)9(15)11(17-6)13-4-2-3-7(5-13)10(12)16/h2-3,6-9,11,14-15H,4-5H2,1H3,(H2,12,16)/t6-,7+,8-,9-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | MYKCTORFOIHUSG-LALMQGGXSA-N |
