JON
Summary
| Name: | [(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate |
| Formula: | C10 H15 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 241.244 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H15N3O4/c14-8-4-7(9(15)13-8)12-10(16)17-5-6-2-1-3-11-6/h6-7,11H,1-5H2,(H,12,16)(H,13,14,15)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | BROVZDKFOULGAP-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1C[C@H](NC(=O)OC[C@@H]2CCCN2)C(=O)N1 |
| SMILES | CACTVS | 3.385 | O=C1C[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]2CC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(NC1)COC(=O)NC2CC(=O)NC2=O |
