| PDB CCD ID: | 2OY |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C14 H23 Cl N2 O3 S |
| InChI: | InChI=1S/C14H23ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13-14,17-18H,2-4,9-10,16H2,1H3/t13-,14+/m0/s1 |
| InChIKey: | HBYAITRXPLQDLO-UONOGXRCSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=S(=O)(NC(CCCCN)C(O)CCl)c1ccc(cc1)C | | CACTVS 3.385 | Cc1ccc(cc1)[S](=O)(=O)N[C@@H](CCCCN)[C@H](O)CCl | | OpenEye OEToolkits 1.7.6 | Cc1ccc(cc1)S(=O)(=O)NC(CCCCN)C(CCl)O | | OpenEye OEToolkits 1.7.6 | Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)[C@@H](CCl)O | | CACTVS 3.385 | Cc1ccc(cc1)[S](=O)(=O)N[CH](CCCCN)[CH](O)CCl |
|
| Name: | N-[(2S,3S)-7-amino-1-chloro-2-hydroxyheptan-3-yl]-4-methylbenzenesulfonamide (Bound Form);
Tosyllysine Chloromethyl Ketone (Bound Form) |
| ZINC: | ZINC000098208227 |
zhanggroup.org