EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H41N5O4 |
| Net Charge | 0 |
| Average Mass | 559.711 |
| Monoisotopic Mass | 559.31585 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2c(cccc2N(C)C)C1=O |
| InChI | InChI=1S/C32H41N5O4/c1-21-17-37(22(2)20-38)32(40)25-9-8-12-28(35(3)4)30(25)41-29(21)19-36(5)18-23-13-15-24(16-14-23)31(39)34-27-11-7-6-10-26(27)33/h6-16,21-22,29,38H,17-20,33H2,1-5H3,(H,34,39)/t21-,22+,29-/m0/s1 |
| InChIKey | SREUWAAPQJIJAQ-KERYWQKISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-aminophenyl)-4-[[[(2R,3S)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide (CHEBI:108866) is a benzamides (CHEBI:22702) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20265 | LINCS |