CHEBI:101337 - 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone ChEBI ID CHEBI:101337 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 C28H37N3O7S Net Charge 0 Average Mass 559.676 Monoisotopic Mass 559.23522 InChI InChI=1S/C28H37N3O7S/c1-36-23-8-5-9-25(16-23)39(34,35)31-18-22(32)19-37-20-27-26(31)11-10-24(38-27)17-28(33)30-14-12-29(13-15-30)21-6-3-2-4-7-21/h2-9,16,22,24,26-27,32H,10-15,17-20H2,1H3/t22-,24-,26+,27-/m0/s1 InChIKey JIBJCGLYXNSLDN-IGSOQLKZSA-N SMILES COC1=CC(=CC=C1)S(=O)(=O)N2C[C@@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)N4CCN(CC4)C5=CC=CC=C5)O ChEBI Ontology Outgoing 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone (CHEBI:101337) is a piperazines (CHEBI:26144) Manual Xref Database LSM-12702 LINCS View more database links