CHEBI:110415 - 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide

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ChEBI Name 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
ChEBI ID CHEBI:110415
Stars This entity has been manually annotated by a third party.
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Formula C24H29N3O6
Net Charge 0
Average Mass 455.504
Monoisotopic Mass 455.20564
InChI InChI=1S/C24H29N3O6/c1-27(2)22(29)12-17-11-19-18-10-15(6-9-20(18)33-23(19)21(13-28)32-17)26-24(30)25-14-4-7-16(31-3)8-5-14/h4-10,17,19,21,23,28H,11-13H2,1-3H3,(H2,25,26,30)/t17-,19-,21+,23+/m1/s1
InChIKey RNEATWJSKJKSLU-YZBYQZESSA-N
SMILES CN(C)C(=O)C[C@H]1C[C@H]2[C@@H]([C@@H](O1)CO)OC3=C2C=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC
ChEBI Ontology
Outgoing 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide (CHEBI:110415) is a ureas (CHEBI:47857)
Manual Xref Database
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