JP8
Summary
| Name: | [(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate |
| Formula: | C11 H17 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 255.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H17N3O4/c15-9-4-3-8(10(16)14-9)13-11(17)18-6-7-2-1-5-12-7/h7-8,12H,1-6H2,(H,13,17)(H,14,15,16)/t7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | UKQUVPXPHSBKIC-SFYZADRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CC[C@H](NC(=O)OC[C@H]2CCCN2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1CC[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(NC1)COC(=O)NC2CCC(=O)NC2=O |
