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CHEBI:114907 - 4-[2-[2-[[1-[(4-fluorophenyl)methyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1H-indol-3-yl]ethylamino]-4-oxobutanoic acid

ChEBI IDCHEBI:114907
ChEBI Name4-[2-[2-[[1-[(4-fluorophenyl)methyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1H-indol-3-yl]ethylamino]-4-oxobutanoic acid
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DownloadsMolfile
FormulaC26H23FN4O5S
Net Charge0
Average Mass522.558
Monoisotopic Mass522.13732
SMILESO=C(O)CCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(Cc3ccc(F)cc3)C2=O)nc2ccccc12
InChIInChI=1S/C26H23FN4O5S/c27-16-7-5-15(6-8-16)14-31-25(36)19(24(35)30-26(31)37)13-21-18(17-3-1-2-4-20(17)29-21)11-12-28-22(32)9-10-23(33)34/h1-8,13,29H,9-12,14H2,(H,28,32)(H,33,34)(H,30,35,37)
InChIKeyPSKAJKMJFXYKJG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[2-[2-[[1-[(4-fluorophenyl)methyl]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-1H-indol-3-yl]ethylamino]-4-oxobutanoic acid (CHEBI:114907) is a indoles (CHEBI:24828)
Manual XrefsDatabases
LSM-26370LINCS