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CHEBI:130549 - 1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea

ChEBI IDCHEBI:130549
ChEBI Name1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
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DownloadsMolfile
FormulaC30H42N4O6S
Net Charge0
Average Mass586.755
Monoisotopic Mass586.28251
SMILESCc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)NC4CCCCC4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C30H42N4O6S/c1-20-13-15-24(16-14-20)41(38,39)33(4)18-27-21(2)17-34(22(3)19-35)29(36)25-11-8-12-26(28(25)40-27)32-30(37)31-23-9-6-5-7-10-23/h8,11-16,21-23,27,35H,5-7,9-10,17-19H2,1-4H3,(H2,31,32,37)/t21-,22+,27-/m0/s1
InChIKeyYSGLYMRBMQFYDJ-XXAUWVGASA-N
ChEBI Ontology
Outgoing Relation(s)
1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea (CHEBI:130549) is a sulfonamide (CHEBI:35358)
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