CHEBI:102331 - 2-[(2R,4aS,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(2R,4aS,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide ChEBI ID CHEBI:102331 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H37FN4O6S Net Charge 0 Average Mass 588.693 Monoisotopic Mass 588.24178 InChI InChI=1S/C29H37FN4O6S/c1-33-25-10-9-22(18-28(35)31-12-15-34-13-3-2-4-14-34)40-27(25)19-39-26-11-8-21(17-24(26)29(33)36)32-41(37,38)23-7-5-6-20(30)16-23/h5-8,11,16-17,22,25,27,32H,2-4,9-10,12-15,18-19H2,1H3,(H,31,35)/t22-,25+,27-/m1/s1 InChIKey TUUZOQPHVDGSNW-BUALBWRZSA-N SMILES CN1[C@H]2CC[C@@H](O[C@@H]2COC3=C(C1=O)C=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)F)CC(=O)NCCN5CCCCC5 ChEBI Ontology Outgoing 2-[(2R,4aS,12aS)-8-[(3-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:102331) is a sulfonamide (CHEBI:35358) Manual Xref Database LSM-13683 LINCS View more database links