CHEBI:100097 - 2-[(3R,6aR,8R,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3R,6aR,8R,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide
ChEBI ID CHEBI:100097
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H35FN2O6S
Net Charge 0
Average Mass 498.610
Monoisotopic Mass 498.21999
InChI InChI=1S/C24H35FN2O6S/c25-18-6-9-21(10-7-18)34(30,31)27-14-19(28)15-32-16-23-22(27)11-8-20(33-23)12-24(29)26-13-17-4-2-1-3-5-17/h6-7,9-10,17,19-20,22-23,28H,1-5,8,11-16H2,(H,26,29)/t19-,20-,22-,23+/m1/s1
InChIKey CDWYTZLAFHIRLQ-PRTQVNTJSA-N
SMILES C1CCC(CC1)CNC(=O)C[C@H]2CC[C@@H]3[C@@H](O2)COC[C@@H](CN3S(=O)(=O)C4=CC=C(C=C4)F)O
ChEBI Ontology
Outgoing 2-[(3R,6aR,8R,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide (CHEBI:100097) is a sulfonamide (CHEBI:35358)
Manual Xref Database
LSM-11476 LINCS
View more database links