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CHEBI:118047 - 2-[(2S,3S,6S)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide

ChEBI IDCHEBI:118047
ChEBI Name2-[(2S,3S,6S)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide
Stars
DownloadsMolfile
FormulaC21H29FN4O4
Net Charge0
Average Mass420.485
Monoisotopic Mass420.21728
SMILESO=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCCN1CCCC1
InChIInChI=1S/C21H29FN4O4/c22-15-3-5-16(6-4-15)24-21(29)25-18-8-7-17(30-19(18)14-27)13-20(28)23-9-12-26-10-1-2-11-26/h3-8,17-19,27H,1-2,9-14H2,(H,23,28)(H2,24,25,29)/t17-,18+,19-/m1/s1
InChIKeyJFCILRCMDYZKAM-CEXWTWQISA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2S,3S,6S)-3-[[(4-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-pyrrolidinyl)ethyl]acetamide (CHEBI:118047) is a ureas (CHEBI:47857)
Manual XrefsDatabases
LSM-29496LINCS