CHEBI:99172 - 2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide
ChEBI ID CHEBI:99172
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H21N3O4S
Net Charge 0
Average Mass 327.401
Monoisotopic Mass 327.12528
InChI InChI=1S/C14H21N3O4S/c18-9-6-16-11-2-1-10(21-12(11)8-20-7-9)5-13(19)17-14-15-3-4-22-14/h3-4,9-12,16,18H,1-2,5-8H2,(H,15,17,19)/t9-,10+,11-,12+/m0/s1
InChIKey LPUMVFGYOYFXDR-WHOHXGKFSA-N
SMILES C1C[C@H]2[C@@H](COC[C@H](CN2)O)O[C@H]1CC(=O)NC3=NC=CS3
ChEBI Ontology
Outgoing 2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-thiazolyl)acetamide (CHEBI:99172) is a aromatic amide (CHEBI:62733)
Manual Xref Database
LSM-10551 LINCS
View more database links