CHEBI:125344 - 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
ChEBI ID CHEBI:125344
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H31N3O5S
Net Charge 0
Average Mass 509.619
Monoisotopic Mass 509.19844
InChI InChI=1S/C27H31N3O5S/c31-20-16-30(15-19-6-8-22(9-7-19)34-21-4-2-1-3-5-21)24-11-10-23(35-25(24)18-33-17-20)14-26(32)29-27-28-12-13-36-27/h1-9,12-13,20,23-25,31H,10-11,14-18H2,(H,28,29,32)/t20-,23-,24+,25-/m0/s1
InChIKey HOVDDXWDVMUCEB-OXCBMLQPSA-N
SMILES C1C[C@@H]2[C@H](COC[C@H](CN2CC3=CC=C(C=C3)OC4=CC=CC=C4)O)O[C@@H]1CC(=O)NC5=NC=CS5
ChEBI Ontology
Outgoing 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide (CHEBI:125344) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-36816 LINCS
View more database links