CHEBI:117522 - 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
ChEBI ID CHEBI:117522
Stars This entity has been manually annotated by a third party.
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Formula C25H30FN3O5
Net Charge 0
Average Mass 471.522
Monoisotopic Mass 471.21695
InChI InChI=1S/C25H30FN3O5/c1-29(2)13-24(32)28-17-6-7-21-19(9-17)20-10-18(33-22(14-30)25(20)34-21)11-23(31)27-12-15-4-3-5-16(26)8-15/h3-9,18,20,22,25,30H,10-14H2,1-2H3,(H,27,31)(H,28,32)/t18-,20-,22+,25+/m0/s1
InChIKey AANFNNZNKVIOFO-FZIATNMDSA-N
SMILES CN(C)CC(=O)NC1=CC2=C(C=C1)O[C@@H]3[C@H]2C[C@H](O[C@@H]3CO)CC(=O)NCC4=CC(=CC=C4)F
ChEBI Ontology
Outgoing 2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CHEBI:117522) is a amino acid amide (CHEBI:22475)
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