CHEBI:100850 - 2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide
ChEBI ID CHEBI:100850
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H27Cl2FN2O5
Net Charge 0
Average Mass 525.398
Monoisotopic Mass 524.12811
InChI InChI=1S/C25H27Cl2FN2O5/c26-19-7-5-15(9-20(19)27)11-29-24(32)10-17-6-8-22-23(35-17)14-34-13-16(31)12-30(22)25(33)18-3-1-2-4-21(18)28/h1-5,7,9,16-17,22-23,31H,6,8,10-14H2,(H,29,32)/t16-,17+,22-,23+/m1/s1
InChIKey NLZWENHPOORBAO-RZRCNZQPSA-N
SMILES C1C[C@@H]2[C@H](COC[C@@H](CN2C(=O)C3=CC=CC=C3F)O)O[C@@H]1CC(=O)NCC4=CC(=C(C=C4)Cl)Cl
ChEBI Ontology
Outgoing 2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide (CHEBI:100850) is a carbonyl compound (CHEBI:36586)
2-[(3R,6aR,8S,10aR)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide (CHEBI:100850) is a organohalogen compound (CHEBI:17792)
Manual Xref Database
LSM-12224 LINCS
View more database links