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CHEBI:128067 - 1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea

ChEBI IDCHEBI:128067
ChEBI Name1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
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DownloadsMolfile
FormulaC31H38N4O7S
Net Charge0
Average Mass610.733
Monoisotopic Mass610.24612
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C)cc2)O3)cc1
InChIInChI=1S/C31H38N4O7S/c1-20-6-13-26(14-7-20)43(39,40)34(4)18-29-21(2)17-35(22(3)19-36)30(37)27-16-24(10-15-28(27)42-29)33-31(38)32-23-8-11-25(41-5)12-9-23/h6-16,21-22,29,36H,17-19H2,1-5H3,(H2,32,33,38)/t21-,22-,29-/m0/s1
InChIKeyKDESAJYWMFBWRH-SYZUXVNWSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea (CHEBI:128067) is a sulfonamide (CHEBI:35358)
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