CHEBI:122825 - 2-[(1R,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide

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ChEBI Name 2-[(1R,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide
ChEBI ID CHEBI:122825
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H30FN3O6
Net Charge 0
Average Mass 535.565
Monoisotopic Mass 535.21186
InChI InChI=1S/C29H30FN3O6/c1-37-24-9-5-2-6-17(24)15-31-27(35)14-19-13-21-20-12-18(10-11-25(20)39-28(21)26(16-34)38-19)32-29(36)33-23-8-4-3-7-22(23)30/h2-12,19,21,26,28,34H,13-16H2,1H3,(H,31,35)(H2,32,33,36)/t19-,21+,26+,28-/m0/s1
InChIKey QPCDPRLGXJQWSH-BNGZEQNASA-N
SMILES COC1=CC=CC=C1CNC(=O)C[C@@H]2C[C@H]3[C@@H]([C@H](O2)CO)OC4=C3C=C(C=C4)NC(=O)NC5=CC=CC=C5F
ChEBI Ontology
Outgoing 2-[(1R,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CHEBI:122825) is a ureas (CHEBI:47857)
Manual Xref Database
LSM-34268 LINCS
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