CHEBI:100642 - (3R,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3R,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
ChEBI ID CHEBI:100642
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C31H41N3O6
Net Charge 0
Average Mass 551.675
Monoisotopic Mass 551.29954
InChI InChI=1S/C31H41N3O6/c1-38-28-10-6-5-9-26(28)32-31(37)34-19-24(35)20-39-21-29-27(34)12-11-25(40-29)18-30(36)33-15-13-23(14-16-33)17-22-7-3-2-4-8-22/h2-10,23-25,27,29,35H,11-21H2,1H3,(H,32,37)/t24-,25-,27-,29+/m1/s1
InChIKey PLPDORRRKBPITR-VSUKXTEZSA-N
SMILES COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@@H](O3)CC(=O)N4CCC(CC4)CC5=CC=CC=C5)O
ChEBI Ontology
Outgoing (3R,6aR,8R,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:100642) is a piperidines (CHEBI:26151)
Manual Xref Database
LSM-12016 LINCS
View more database links