CHEBI:103856 - 2-(1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester

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ChEBI Name 2-(1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester
ChEBI ID CHEBI:103856
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H31BrNO3S
Net Charge +1
Average Mass 517.500
Monoisotopic Mass 516.12025
InChI InChI=1S/C26H31BrNO3S/c1-17-24(32-16-28(17)15-23(29)21-2-4-22(27)5-3-21)6-7-31-25(30)14-26-11-18-8-19(12-26)10-20(9-18)13-26/h2-5,16,18-20H,6-15H2,1H3/q+1
InChIKey NOLFVWIVGUIDAF-UHFFFAOYSA-N
SMILES CC1=C(SC=[N+]1CC(=O)C2=CC=C(C=C2)Br)CCOC(=O)CC34CC5CC(C3)CC(C5)C4
ChEBI Ontology
Outgoing 2-(1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester (CHEBI:103856) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
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