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CHEBI:126919 - 1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

ChEBI IDCHEBI:126919
ChEBI Name1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea
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DownloadsMolfile
FormulaC25H37N5O5
Net Charge0
Average Mass487.601
Monoisotopic Mass487.27947
SMILESCc1noc(C)c1NC(=O)N(C)C[C@H]1Oc2ccc(N(C)C)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C
InChIInChI=1S/C25H37N5O5/c1-15-12-30(16(2)14-31)23(32)11-19-10-20(28(5)6)8-9-21(19)34-22(15)13-29(7)25(33)26-24-17(3)27-35-18(24)4/h8-10,15-16,22,31H,11-14H2,1-7H3,(H,26,33)/t15-,16+,22-/m1/s1
InChIKeyGPPKFMUWSJEKJP-ZMPRRUGASA-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,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea (CHEBI:126919) is a dialkylarylamine (CHEBI:23665)
1-[[(2S,3R)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea (CHEBI:126919) is a tertiary amino compound (CHEBI:50996)
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