EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H31FN4O6S |
| Net Charge | 0 |
| Average Mass | 570.643 |
| Monoisotopic Mass | 570.19483 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O |
| InChI | InChI=1S/C28H31FN4O6S/c1-18-15-33(19(2)17-34)28(36)24-14-22(31-27(35)20-10-12-30-13-11-20)6-9-25(24)39-26(18)16-32(3)40(37,38)23-7-4-21(29)5-8-23/h4-14,18-19,26,34H,15-17H2,1-3H3,(H,31,35)/t18-,19+,26-/m0/s1 |
| InChIKey | SQBTVDLOUYEYHC-ANSQWYIGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S)-2-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide (CHEBI:124800) is a sulfonamide (CHEBI:35358) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36242 | LINCS |