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CHEBI:126809 - 1-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

ChEBI IDCHEBI:126809
ChEBI Name1-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea
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DownloadsMolfile
FormulaC23H38N4O4
Net Charge0
Average Mass434.581
Monoisotopic Mass434.28931
SMILESCC(C)NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C23H38N4O4/c1-15(2)24-23(30)26(7)13-21-16(3)12-27(17(4)14-28)22(29)11-18-10-19(25(5)6)8-9-20(18)31-21/h8-10,15-17,21,28H,11-14H2,1-7H3,(H,24,30)/t16-,17+,21+/m0/s1
InChIKeyRCIJUMNSSGEJFF-CSODHUTKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:126809) is a dialkylarylamine (CHEBI:23665)
1-[[(2S,3S)-9-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:126809) is a tertiary amino compound (CHEBI:50996)
Manual XrefsDatabases
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