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CHEBI:129029 - 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]-3-(4-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:129029
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]-3-(4-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC27H38N4O5
Net Charge0
Average Mass498.624
Monoisotopic Mass498.28422
SMILESCOc1ccc(NC(=O)N(C)C[C@H]2Oc3ccc(N(C)C)cc3CC(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C27H38N4O5/c1-18-15-31(19(2)17-32)26(33)14-20-13-22(29(3)4)9-12-24(20)36-25(18)16-30(5)27(34)28-21-7-10-23(35-6)11-8-21/h7-13,18-19,25,32H,14-17H2,1-6H3,(H,28,34)/t18-,19+,25+/m0/s1
InChIKeyATOUFFMQMQIITO-OSWQYVSFSA-N
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]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:129029) is a ureas (CHEBI:47857)
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