EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C29H37F3N4O4 |
| Net Charge | 0 |
| Average Mass | 562.633 |
| Monoisotopic Mass | 562.27669 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2ncc(-c3cccc(C(F)(F)F)c3)cc2C1=O |
| InChI | InChI=1S/C29H37F3N4O4/c1-18-15-36(19(2)17-37)27(38)24-13-21(20-8-7-9-22(12-20)29(30,31)32)14-33-26(24)40-25(18)16-35(3)28(39)34-23-10-5-4-6-11-23/h7-9,12-14,18-19,23,25,37H,4-6,10-11,15-17H2,1-3H3,(H,34,39)/t18-,19+,25-/m0/s1 |
| InChIKey | LFZWPCZNHJKZTB-CEYNDMKZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-cyclohexyl-1-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea (CHEBI:106230) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-17591 | LINCS |