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CHEBI:108663 - 1-[(2S,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-cyclohexylurea

ChEBI IDCHEBI:108663
ChEBI Name1-[(2S,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-cyclohexylurea
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DownloadsMolfile
FormulaC30H41ClN4O6S
Net Charge0
Average Mass621.200
Monoisotopic Mass620.24353
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)NC3CCCCC3)ccc2O[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C30H41ClN4O6S/c1-20-17-35(21(2)19-36)29(37)16-22-15-25(33-30(38)32-24-7-5-4-6-8-24)11-14-27(22)41-28(20)18-34(3)42(39,40)26-12-9-23(31)10-13-26/h9-15,20-21,24,28,36H,4-8,16-19H2,1-3H3,(H2,32,33,38)/t20-,21+,28-/m1/s1
InChIKeyXMVMBOAJKPBQKX-PHVLTXCSSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(2S,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-cyclohexylurea (CHEBI:108663) is a sulfonamide (CHEBI:35358)
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