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

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ChEBI Name 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 ID CHEBI:114907
Stars This entity has been manually annotated by a third party.
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Formula C26H23FN4O5S
Net Charge 0
Average Mass 522.550
Monoisotopic Mass 522.13732
InChI InChI=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)
InChIKey PSKAJKMJFXYKJG-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C(=C(N2)C=C3C(=O)NC(=S)N(C3=O)CC4=CC=C(C=C4)F)CCNC(=O)CCC(=O)O
ChEBI Ontology
Outgoing 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 Xref Database
LSM-26370 LINCS
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