EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C38H49N5O5 |
| Net Charge | 0 |
| Average Mass | 655.840 |
| Monoisotopic Mass | 655.37337 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)C3CCCCC3)cc2CC1=O |
| InChI | InChI=1S/C38H49N5O5/c1-25-21-43(26(2)24-44)36(45)20-30-19-31(40-37(46)28-9-5-4-6-10-28)17-18-34(30)48-35(25)23-42(3)22-27-13-15-29(16-14-27)38(47)41-33-12-8-7-11-32(33)39/h7-8,11-19,25-26,28,35,44H,4-6,9-10,20-24,39H2,1-3H3,(H,40,46)(H,41,47)/t25-,26+,35-/m0/s1 |
| InChIKey | CMTIPOGQFXEGCZ-XUKQSAIQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-(2-aminophenyl)-4-[[[(2R,3S)-9-[[cyclohexyl(oxo)methyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide (CHEBI:126455) is a benzamides (CHEBI:22702) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38019 | LINCS |