loading...| Preferred Name |
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide |
| ID |
http://purl.obolibrary.org/obo/CHEBI_101241 |
| charge |
0 |
| database_cross_reference |
LINCS:LSM-12609 |
| formula |
C29H26F5N3O5 |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:101241 |
| in_subset | |
| inchi |
InChI=1S/C29H26F5N3O5/c30-17-3-7-23(31)15(9-17)13-35-26(39)12-20-11-22-21-10-19(6-8-24(21)42-27(22)25(14-38)41-20)37-28(40)36-18-4-1-16(2-5-18)29(32,33)34/h1-10,20,22,25,27,38H,11-14H2,(H,35,39)(H2,36,37,40)/t20-,22-,25-,27+/m1/s1 |
| inchikey |
ZUHKGHKDCFDVCR-GKYRZQBGSA-N |
| label |
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide |
| mass |
591.527 |
| monoisotopicmass |
591.17926 |
| notation |
CHEBI:101241 |
| prefLabel |
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide |
| smiles |
C1[C@@H](O[C@@H]([C@@H]2[C@H]1C3=C(O2)C=CC(=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F)CO)CC(=O)NCC5=C(C=CC(=C5)F)F |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| There are currently no mappings for this class. | |||