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CHEBI:124625 - 1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea

ChEBI IDCHEBI:124625
ChEBI Name1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-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
FormulaC29H41N5O6
Net Charge0
Average Mass555.676
Monoisotopic Mass555.30568
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)NC(C)C)O3)cc1
InChIInChI=1S/C29H41N5O6/c1-18(2)30-29(38)33(5)16-26-19(3)15-34(20(4)17-35)27(36)14-21-13-23(9-12-25(21)40-26)32-28(37)31-22-7-10-24(39-6)11-8-22/h7-13,18-20,26,35H,14-17H2,1-6H3,(H,30,38)(H2,31,32,37)/t19-,20+,26+/m0/s1
InChIKeyQVUYTBQNGWGTGS-OUDXUNEISA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl]-1-methyl-3-propan-2-ylurea (CHEBI:124625) is a ureas (CHEBI:47857)
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