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CHEBI:94852 - 1-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea

ChEBI IDCHEBI:94852
ChEBI Name1-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea
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DownloadsMolfile
FormulaC29H32ClFN4O6S
Net Charge0
Average Mass619.115
Monoisotopic Mass618.17151
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccc(F)cc3)c2O[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C29H32ClFN4O6S/c1-18-15-35(19(2)17-36)28(37)24-5-4-6-25(33-29(38)32-22-11-9-21(31)10-12-22)27(24)41-26(18)16-34(3)42(39,40)23-13-7-20(30)8-14-23/h4-14,18-19,26,36H,15-17H2,1-3H3,(H2,32,33,38)/t18-,19+,26+/m1/s1
InChIKeyOZYYCECXSZQYIA-MVYHEMRASA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2R,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-fluorophenyl)urea (CHEBI:94852) is a sulfonamide (CHEBI:35358)
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