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CHEBI:126397 - 1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:126397
ChEBI Name1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
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DownloadsMolfile
FormulaC29H41N5O6
Net Charge0
Average Mass555.676
Monoisotopic Mass555.30568
SMILESCOc1ccc(NC(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)NC(C)C)cc3CC(=O)N([C@@H](C)CO)C[C@H]2C)cc1
InChIInChI=1S/C29H41N5O6/c1-18(2)30-28(37)31-23-9-12-25-21(13-23)14-27(36)34(20(4)17-35)15-19(3)26(40-25)16-33(5)29(38)32-22-7-10-24(39-6)11-8-22/h7-13,18-20,26,35H,14-17H2,1-6H3,(H,32,38)(H2,30,31,37)/t19-,20+,26+/m1/s1
InChIKeyMDKZGHKRBFNUMF-GOHWNWGWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-9-[[oxo-(propan-2-ylamino)methyl]amino]-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:126397) is a ureas (CHEBI:47857)
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