| PDB CCD ID: | LV0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H21 N3 O3 S |
| InChI: | InChI=1S/C21H21N3O3S/c25-19(21(27)23-14-18-22-11-12-28-18)17(13-15-7-3-1-4-8-15)24-20(26)16-9-5-2-6-10-16/h1-12,17,19,25H,13-14H2,(H,23,27)(H,24,26)/t17-,19+/m1/s1 |
| InChIKey: | UFZXDNQNUPUWBP-MJGOQNOKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O[C@@H]([C@@H](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)NCc3sccn3 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)CC(C(C(=O)NCc2nccs2)O)NC(=O)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C[C@H]([C@@H](C(=O)NCc2nccs2)O)NC(=O)c3ccccc3 | | CACTVS 3.385 | O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(=O)NCc3sccn3 |
|
| Name: | ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide |
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