EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C26H32ClF3N4O6S |
| Net Charge | 0 |
| Average Mass | 621.078 |
| Monoisotopic Mass | 620.16832 |
| SMILES | CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H](C)N(S(=O)(=O)CC(F)(F)F)C[C@H]1C |
| InChI | InChI=1S/C26H32ClF3N4O6S/c1-16-12-34(41(37,38)15-26(28,29)30)17(2)14-40-22-10-9-18(11-19(22)24(35)33(3)13-23(16)39-4)31-25(36)32-21-8-6-5-7-20(21)27/h5-11,16-17,23H,12-15H2,1-4H3,(H2,31,32,36)/t16-,17-,23-/m1/s1 |
| InChIKey | LAYZWFLVYRXBBA-SEPYTNNBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2-chlorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2,2,2-trifluoroethylsulfonyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:100412) is a azamacrocycle (CHEBI:52898) |
| 1-(2-chlorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2,2,2-trifluoroethylsulfonyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:100412) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-11787 | LINCS |