EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C34H38IN3O4S |
| Net Charge | 0 |
| Average Mass | 711.666 |
| Monoisotopic Mass | 711.16278 |
| SMILES | Cc1ccc(S[C@]2(C(=O)NCCN3CCOCC3)CC(=O)N(C3Cc4ccccc4C3)[C@@H]2c2ccc(CO)cc2I)cc1 |
| InChI | InChI=1S/C34H38IN3O4S/c1-23-6-9-28(10-7-23)43-34(33(41)36-12-13-37-14-16-42-17-15-37)21-31(40)38(27-19-25-4-2-3-5-26(25)20-27)32(34)29-11-8-24(22-39)18-30(29)35/h2-11,18,27,32,39H,12-17,19-22H2,1H3,(H,36,41)/t32-,34-/m1/s1 |
| InChIKey | IQAMLNDCTUZWLF-ZFEZZJPFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R)-1-(2,3-dihydro-1H-inden-2-yl)-2-[4-(hydroxymethyl)-2-iodophenyl]-3-[(4-methylphenyl)thio]-N-[2-(4-morpholinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide (CHEBI:125215) is a pyrrolidines (CHEBI:38260) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36683 | LINCS |