CHEBI:101738 - 2-[(3R,6aR,8S,10aR)-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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-[(3R,6aR,8S,10aR)-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 ID CHEBI:101738 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 C25H39N3O5 Net Charge 0 Average Mass 461.595 Monoisotopic Mass 461.28897 InChI InChI=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 InChIKey JSQZMBUYZHIIMM-ONTLXTELSA-N SMILES COC1=CC=C(C=C1)CN2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCN4CCCC4)O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-[(3R,6aR,8S,10aR)-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:101738) is a aromatic amine (CHEBI:33860) Manual Xref Database LSM-13100 LINCS View more database links