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CHEBI:130784 - N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

ChEBI IDCHEBI:130784
ChEBI NameN-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
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DownloadsMolfile
FormulaC25H33Cl2N3O5S
Net Charge0
Average Mass558.528
Monoisotopic Mass557.15180
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C25H33Cl2N3O5S/c1-16-12-30(17(2)15-31)25(32)11-19-10-20(28-36(4,33)34)6-8-23(19)35-24(16)14-29(3)13-18-5-7-21(26)22(27)9-18/h5-10,16-17,24,28,31H,11-15H2,1-4H3/t16-,17+,24-/m1/s1
InChIKeyVHEBRLFBVVIGEB-XVTZWQNCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:130784) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-42333LINCS