EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H31Cl2N7O4 |
| Net Charge | 0 |
| Average Mass | 576.485 |
| Monoisotopic Mass | 575.18146 |
| SMILES | C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Cn3cnnn3)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1 |
| InChI | InChI=1S/C26H31Cl2N7O4/c1-16-10-35(17(2)14-36)26(38)20-9-19(30-25(37)13-34-15-29-31-32-34)5-7-23(20)39-24(16)12-33(3)11-18-4-6-21(27)22(28)8-18/h4-9,15-17,24,36H,10-14H2,1-3H3,(H,30,37)/t16-,17-,24-/m1/s1 |
| InChIKey | MIRHJXKFLNBQHA-HOZJOUCCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-tetrazolyl)acetamide (CHEBI:124483) is a dichlorobenzene (CHEBI:23697) |
| Manual Xrefs | Databases |
|---|---|
| LSM-35925 | LINCS |