| PDB CCD ID: | XVE |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C18 H18 Cl N O3 |
| InChI: | InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1 |
| InChIKey: | OYHLRJGDELITAF-INIZCTEOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.6.1 | c1ccc(cc1)CC(C(=O)CCl)NC(=O)OCc2ccccc2 | | CACTVS 3.352 | ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2 | | OpenEye OEToolkits 1.6.1 | c1ccc(cc1)C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2 | | CACTVS 3.352 | ClCC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2 |
|
| Name: | PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE |
| ChEMBL: | CHEMBL303579 |
| ZINC: | ZINC000001583409 |
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