| PDB CCD ID: | JP8 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H17 N3 O4 |
| InChI: | 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: | UKQUVPXPHSBKIC-SFYZADRCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O=C1CC[CH](NC(=O)OC[CH]2CCCN2)C(=O)N1 | | OpenEye OEToolkits 2.0.7 | C1CC(NC1)COC(=O)NC2CCC(=O)NC2=O | | CACTVS 3.385 | O=C1CC[C@H](NC(=O)OC[C@H]2CCCN2)C(=O)N1 | | OpenEye OEToolkits 2.0.7 | C1C[C@@H](NC1)COC(=O)N[C@H]2CCC(=O)NC2=O |
|
| Name: | [(2~{R})-pyrrolidin-2-yl]methyl ~{N}-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]carbamate |
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