JPW
Summary
| Name: | (4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate |
| Formula: | C13 H21 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 283.324 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4-azanylcyclohexyl)methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H21N3O4/c14-9-3-1-8(2-4-9)7-20-13(19)15-10-5-6-11(17)16-12(10)18/h8-10H,1-7,14H2,(H,15,19)(H,16,17,18)/t8-,9-,10-/m0/s1 |
| InChIKey | InChI | 1.03 | HEPIPPZEYDEJHT-GUBZILKMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CC[C@@H](CC1)COC(=O)N[C@H]2CCC(=O)NC2=O |
| SMILES | CACTVS | 3.385 | N[CH]1CC[CH](CC1)COC(=O)N[CH]2CCC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC(=O)NC(=O)[C@H]1NC(=O)OCC2CCC(CC2)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(CCC1COC(=O)NC2CCC(=O)NC2=O)N |
