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CHEBI:128596 - N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide

ChEBI IDCHEBI:128596
ChEBI NameN-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide
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DownloadsMolfile
FormulaC31H39N3O9S2
Net Charge0
Average Mass661.799
Monoisotopic Mass661.21277
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(OC)cc2)O3)cc1
InChIInChI=1S/C31H39N3O9S2/c1-21-18-34(22(2)20-35)31(36)17-23-16-24(32-44(37,38)27-11-7-25(41-4)8-12-27)6-15-29(23)43-30(21)19-33(3)45(39,40)28-13-9-26(42-5)10-14-28/h6-16,21-22,30,32,35H,17-20H2,1-5H3/t21-,22+,30-/m1/s1
InChIKeyRFGPXVMTNFVDAR-VDZJOXJSSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide (CHEBI:128596) is a sulfonamide (CHEBI:35358)
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