CHEBI:102681 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide

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ChEBI Name 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide
ChEBI ID CHEBI:102681
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H36N4O5
Net Charge 0
Average Mass 508.610
Monoisotopic Mass 508.26857
InChI InChI=1S/C28H36N4O5/c33-18-25-28-23(16-21(36-25)17-26(34)30-10-13-32-11-2-1-3-12-32)22-15-20(4-5-24(22)37-28)31-27(35)14-19-6-8-29-9-7-19/h4-9,15,21,23,25,28,33H,1-3,10-14,16-18H2,(H,30,34)(H,31,35)/t21-,23-,25-,28+/m1/s1
InChIKey FBZDSUDTYUQYGJ-FNIBFVHZSA-N
SMILES C1CCN(CC1)CCNC(=O)C[C@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)CC5=CC=NC=C5
ChEBI Ontology
Outgoing 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide (CHEBI:102681) is a furopyran (CHEBI:74927)
Manual Xref Database
LSM-14028 LINCS
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