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CHEBI:113783 - 3-cyclohexyl-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea

ChEBI IDCHEBI:113783
ChEBI Name3-cyclohexyl-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea
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DownloadsMolfile
FormulaC31H43N5O6
Net Charge0
Average Mass581.714
Monoisotopic Mass581.32133
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)O3)cc1
InChIInChI=1S/C31H43N5O6/c1-20-17-36(21(2)19-37)29(38)26-16-24(33-30(39)32-23-10-13-25(41-4)14-11-23)12-15-27(26)42-28(20)18-35(3)31(40)34-22-8-6-5-7-9-22/h10-16,20-22,28,37H,5-9,17-19H2,1-4H3,(H,34,40)(H2,32,33,39)/t20-,21-,28-/m0/s1
InChIKeyRJROVUFZJIAJHT-CZBREUMFSA-N
ChEBI Ontology
Outgoing Relation(s)
3-cyclohexyl-1-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-8-[[(4-methoxyanilino)-oxomethyl]amino]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methylurea (CHEBI:113783) is a ureas (CHEBI:47857)
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