EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H33ClN4O6S |
| Net Charge | 0 |
| Average Mass | 553.081 |
| Monoisotopic Mass | 552.18093 |
| SMILES | CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3Cl)ccc2OC[C@@H](C)N(S(C)(=O)=O)C[C@H]1C |
| InChI | InChI=1S/C25H33ClN4O6S/c1-16-13-30(37(5,33)34)17(2)15-36-22-11-10-18(12-19(22)24(31)29(3)14-23(16)35-4)27-25(32)28-21-9-7-6-8-20(21)26/h6-12,16-17,23H,13-15H2,1-5H3,(H2,27,28,32)/t16-,17-,23-/m1/s1 |
| InChIKey | ZAUBETAXUYVFOB-SEPYTNNBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2-chlorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:104377) is a azamacrocycle (CHEBI:52898) |
| 1-(2-chlorophenyl)-3-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-5-methylsulfonyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea (CHEBI:104377) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15741 | LINCS |