EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H48N4O4 |
| Net Charge | 0 |
| Average Mass | 588.793 |
| Monoisotopic Mass | 588.36756 |
| SMILES | C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Cc3cn(C)c4ccccc34)ccc2O[C@H]1CN(C)CC1CCCCC1 |
| InChI | InChI=1S/C35H48N4O4/c1-24-19-39(25(2)23-40)35(42)18-27-16-29(36-34(41)17-28-21-38(4)31-13-9-8-12-30(28)31)14-15-32(27)43-33(24)22-37(3)20-26-10-6-5-7-11-26/h8-9,12-16,21,24-26,33,40H,5-7,10-11,17-20,22-23H2,1-4H3,(H,36,41)/t24-,25+,33+/m1/s1 |
| InChIKey | FGYBIZORLGBRKO-SQJKUQPUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide (CHEBI:126209) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37776 | LINCS |