CHEBI:103078 - (3R,6aR,8S,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)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,8S,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide
ChEBI ID CHEBI:103078
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C26H34N4O6
Net Charge 0
Average Mass 498.572
Monoisotopic Mass 498.24783
InChI InChI=1S/C26H34N4O6/c1-34-23-5-3-2-4-21(23)29-26(33)30-15-19(31)16-35-17-24-22(30)7-6-20(36-24)14-25(32)28-13-10-18-8-11-27-12-9-18/h2-5,8-9,11-12,19-20,22,24,31H,6-7,10,13-17H2,1H3,(H,28,32)(H,29,33)/t19-,20+,22-,24+/m1/s1
InChIKey YKBSBMDVZJDWJN-ADGBJGEGSA-N
SMILES COC1=CC=CC=C1NC(=O)N2C[C@H](COC[C@H]3[C@H]2CC[C@H](O3)CC(=O)NCCC4=CC=NC=C4)O
ChEBI Ontology
Outgoing (3R,6aR,8S,10aR)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide (CHEBI:103078) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-14423 LINCS
View more database links