| PDB CCD ID: | JOQ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H15 N3 O4 |
| InChI: | InChI=1S/C13H15N3O4/c14-6-8-1-3-9(4-2-8)7-20-13(19)15-10-5-11(17)16-12(10)18/h1-4,10H,5-7,14H2,(H,15,19)(H,16,17,18)/t10-/m0/s1 |
| InChIKey: | PPHDAIUDWPTCMT-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NCc1ccc(COC(=O)N[C@H]2CC(=O)NC2=O)cc1 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1CN)COC(=O)NC2CC(=O)NC2=O | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1CN)COC(=O)N[C@H]2CC(=O)NC2=O | | CACTVS 3.385 | NCc1ccc(COC(=O)N[CH]2CC(=O)NC2=O)cc1 |
|
| Name: | [4-(aminomethyl)phenyl]methyl ~{N}-[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamate |
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