NVC
Summary
| Name: | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide |
| Formula: | C19 H25 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 359.42 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-[(2R)-2-{[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonyl}hexyl]-N-hydroxyformamide |
| OpenEye OEToolkits | 1.5.0 | N-[(2R)-2-[(2S)-2-(1,3-benzoxazol-2-yl)pyrrolidin-1-yl]carbonylhexyl]-N-hydroxy-methanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CN(O)CC(C(=O)N3CCCC3c1nc2ccccc2o1)CCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c2oc3ccccc3n2 |
| SMILES | CACTVS | 3.341 | CCCC[CH](CN(O)C=O)C(=O)N1CCC[CH]1c2oc3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCC[C@H](CN(C=O)O)C(=O)N1CCC[C@H]1c2nc3ccccc3o2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCC(CN(C=O)O)C(=O)N1CCCC1c2nc3ccccc3o2 |
| InChI | InChI | 1.03 | InChI=1S/C19H25N3O4/c1-2-3-7-14(12-21(25)13-23)19(24)22-11-6-9-16(22)18-20-15-8-4-5-10-17(15)26-18/h4-5,8,10,13-14,16,25H,2-3,6-7,9,11-12H2,1H3/t14-,16+/m1/s1 |
| InChIKey | InChI | 1.03 | QDDZLTVSNABZIK-ZBFHGGJFSA-N |
