| PDB CCD ID: | ZYK |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C14 H18 N2 O6 |
| InChI: | InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1 |
| InChIKey: | WPKMWFSKVVSYBX-ZJUUUORDSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | COc1ccc(cc1OC)C(=O)NO[C@H]2CN[C@@H](C2)C(O)=O | | CACTVS 3.370 | COc1ccc(cc1OC)C(=O)NO[CH]2CN[CH](C2)C(O)=O | | OpenEye OEToolkits 1.7.0 | COc1ccc(cc1OC)C(=O)NO[C@@H]2C[C@H](NC2)C(=O)O | | OpenEye OEToolkits 1.7.0 | COc1ccc(cc1OC)C(=O)NOC2CC(NC2)C(=O)O | | ACDLabs 12.01 | O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2 |
|
| Name: | (4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline;
3,4-dimethoxybenzamidoxy proline |
| ZINC: | ZINC000066157149 |
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