CHEBI:183838 - [1,1'-biphenyl]-2-carboxylic acid, 4'-[[2,3-dimethyl-5-[[[(1s)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1h-indol-1-yl]methyl]-

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name [1,1'-biphenyl]-2-carboxylic acid, 4'-[[2,3-dimethyl-5-[[[(1s)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1h-indol-1-yl]methyl]-
ChEBI ID CHEBI:183838
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C33H29N3O5
Net Charge 0
Average Mass 547.611
Monoisotopic Mass 547.21072
InChI InChI=1S/C33H29N3O5/c1-20-22(3)35(19-23-8-10-25(11-9-23)28-6-4-5-7-29(28)33(38)39)31-17-14-26(18-30(20)31)32(37)34-21(2)24-12-15-27(16-13-24)36(40)41/h4-18,21H,19H2,1-3H3,(H,34,37)(H,38,39)/t21-/m0/s1
InChIKey IIJDFXNUWZTHIM-NRFANRHFSA-N
SMILES O=C(N[C@H](C1=CC=C([N+]([O-])=O)C=C1)C)C2=CC3=C(N(C(=C3C)C)CC4=CC=C(C=C4)C=5C(=CC=CC5)C(O)=O)C=C2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing [1,1'-biphenyl]-2-carboxylic acid, 4'-[[2,3-dimethyl-5-[[[(1s)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1h-indol-1-yl]methyl]- (CHEBI:183838) is a indolecarboxamide (CHEBI:46921)
IUPAC Name
2-[4-[[2,3-dimethyl-5-[[(1S)-1-(4-nitrophenyl)ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
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