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CHEBI:126261 - (3S)-4-(3-bromophenyl)-3-(2-hydroxyethyl)-2-[oxo-(propan-2-ylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester

ChEBI IDCHEBI:126261
ChEBI Name(3S)-4-(3-bromophenyl)-3-(2-hydroxyethyl)-2-[oxo-(propan-2-ylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC22H26BrN3O4
Net Charge0
Average Mass476.371
Monoisotopic Mass475.11067
SMILESCCOC(=O)c1cc2c(c(-c3cccc(Br)c3)n1)[C@H](CCO)N(C(=O)NC(C)C)C2
InChIInChI=1S/C22H26BrN3O4/c1-4-30-21(28)17-11-15-12-26(22(29)24-13(2)3)18(8-9-27)19(15)20(25-17)14-6-5-7-16(23)10-14/h5-7,10-11,13,18,27H,4,8-9,12H2,1-3H3,(H,24,29)/t18-/m0/s1
InChIKeyRISBSKFIYPXXNI-SFHVURJKSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S)-4-(3-bromophenyl)-3-(2-hydroxyethyl)-2-[oxo-(propan-2-ylamino)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid ethyl ester (CHEBI:126261) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-37827LINCS