CHEBI:102468 - 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide
ChEBI ID CHEBI:102468
Stars This entity has been manually annotated by a third party.
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Formula C30H33N3O6
Net Charge 0
Average Mass 531.601
Monoisotopic Mass 531.23694
InChI InChI=1S/C30H33N3O6/c1-37-22-10-7-20(8-11-22)32-30(36)33-21-9-12-26-24(15-21)25-16-23(38-27(18-34)29(25)39-26)17-28(35)31-14-13-19-5-3-2-4-6-19/h2-12,15,23,25,27,29,34H,13-14,16-18H2,1H3,(H,31,35)(H2,32,33,36)/t23-,25-,27-,29+/m1/s1
InChIKey FOSRSIPYUZSGIW-ACEYUQJJSA-N
SMILES COC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)O[C@H]4[C@@H]3C[C@@H](O[C@@H]4CO)CC(=O)NCCC5=CC=CC=C5
ChEBI Ontology
Outgoing 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide (CHEBI:102468) is a ureas (CHEBI:47857)
Manual Xref Database
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