EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C25H29N3O5 |
| Net Charge | 0 |
| Average Mass | 451.523 |
| Monoisotopic Mass | 451.21072 |
| SMILES | COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)N(C)C)N(C(=O)C4CC4)[C@@H]32)c1 |
| InChI | InChI=1S/C25H29N3O5/c1-26(2)25(32)22-19(13-29)18-12-27-20(21(18)28(22)23(30)14-7-8-14)10-9-17(24(27)31)15-5-4-6-16(11-15)33-3/h4-6,9-11,14,18-19,21-22,29H,7-8,12-13H2,1-3H3/t18-,19-,21+,22-/m0/s1 |
| InChIKey | GXOJNSFKOZUWBX-MPJJRAAHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,3aR,9bR)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-N,N-dimethyl-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:97577) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-8956 | LINCS |