CHEBI:129288 - 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide
ChEBI ID CHEBI:129288
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C28H33N3O5S
Net Charge 0
Average Mass 523.646
Monoisotopic Mass 523.21409
InChI InChI=1S/C28H33N3O5S/c32-21-16-31(17-28-29-12-13-37-28)25-11-10-24(36-26(25)19-34-18-21)14-27(33)30-15-20-6-8-23(9-7-20)35-22-4-2-1-3-5-22/h1-9,12-13,21,24-26,32H,10-11,14-19H2,(H,30,33)/t21-,24+,25+,26-/m0/s1
InChIKey AHHDCYRQXKKZQZ-WSZJRCBQSA-N
SMILES C1C[C@@H]2[C@H](COC[C@H](CN2CC3=NC=CS3)O)O[C@H]1CC(=O)NCC4=CC=C(C=C4)OC5=CC=CC=C5
ChEBI Ontology
Outgoing 2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(2-thiazolylmethyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenoxyphenyl)methyl]acetamide (CHEBI:129288) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-40839 LINCS
View more database links