EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C22H28ClN3O4S |
| Net Charge | 0 |
| Average Mass | 466.003 |
| Monoisotopic Mass | 465.14891 |
| SMILES | O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1Cl |
| InChI | InChI=1S/C22H28ClN3O4S/c23-18-4-2-1-3-15(18)10-25-21(28)9-17-5-6-19-20(30-17)14-29-13-16(27)11-26(19)12-22-24-7-8-31-22/h1-4,7-8,16-17,19-20,27H,5-6,9-14H2,(H,25,28)/t16-,17-,19-,20+/m1/s1 |
| InChIKey | VRNJYJIECLSBHX-LFGUQSLTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(2-chlorophenyl)methyl]acetamide (CHEBI:102734) is a organochlorine compound (CHEBI:36683) |
| Manual Xrefs | Databases |
|---|---|
| LSM-14080 | LINCS |