CHEBI:102695 - 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide
ChEBI ID CHEBI:102695
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C20H28N2O6
Net Charge 0
Average Mass 392.447
Monoisotopic Mass 392.19474
InChI InChI=1S/C20H28N2O6/c1-3-6-21-18(24)9-13-8-15-14-7-12(22-19(25)11-26-2)4-5-16(14)28-20(15)17(10-23)27-13/h4-5,7,13,15,17,20,23H,3,6,8-11H2,1-2H3,(H,21,24)(H,22,25)/t13-,15+,17+,20-/m1/s1
InChIKey ZWJVDCAUIXXXGX-GKTLAZJLSA-N
SMILES CCCNC(=O)C[C@H]1C[C@@H]2[C@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)COC
ChEBI Ontology
Outgoing 2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide (CHEBI:102695) is a furopyran (CHEBI:74927)
Manual Xref Database
LSM-14042 LINCS
View more database links