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CHEBI:100270 - 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide

ChEBI IDCHEBI:100270
ChEBI Name2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
Stars
DownloadsMolfile
FormulaC25H39N3O5
Net Charge0
Average Mass461.603
Monoisotopic Mass461.28897
SMILESCOc1ccc(CN2C[C@@H](O)COC[C@H]3O[C@H](CC(=O)NCCN4CCCC4)CC[C@@H]32)cc1
InChIInChI=1S/C25H39N3O5/c1-31-21-6-4-19(5-7-21)15-28-16-20(29)17-32-18-24-23(28)9-8-22(33-24)14-25(30)26-10-13-27-11-2-3-12-27/h4-7,20,22-24,29H,2-3,8-18H2,1H3,(H,26,30)/t20-,22+,23+,24-/m1/s1
InChIKeyJSQZMBUYZHIIMM-AYVPJYCDSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-methoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide (CHEBI:100270) is a aromatic amine (CHEBI:33860)
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LSM-11645LINCS