CHEBI:107160 - 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester

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ChEBI Name 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester
ChEBI ID CHEBI:107160
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H24ClN3O7
Net Charge 0
Average Mass 525.939
Monoisotopic Mass 525.13028
InChI InChI=1S/C26H24ClN3O7/c1-34-22-10-7-17(12-23(22)35-2)26(33)28-14-25(32)37-15-24(31)30-20(21-4-3-11-36-21)13-19(29-30)16-5-8-18(27)9-6-16/h3-12,20H,13-15H2,1-2H3,(H,28,33)
InChIKey KEFFGNCGFQKDAH-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)N2C(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CO4)OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester (CHEBI:107160) is a depsipeptide (CHEBI:23643)
Manual Xref Database
LSM-18514 LINCS
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