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CHEBI:123891 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide

ChEBI IDCHEBI:123891
ChEBI NameN-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide
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DownloadsMolfile
FormulaC32H39N3O6S
Net Charge0
Average Mass593.746
Monoisotopic Mass593.25596
SMILESCc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ccc(NC(=O)Cc4ccccc4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C32H39N3O6S/c1-22-10-13-28(14-11-22)42(39,40)34(4)20-30-23(2)19-35(24(3)21-36)32(38)18-26-17-27(12-15-29(26)41-30)33-31(37)16-25-8-6-5-7-9-25/h5-15,17,23-24,30,36H,16,18-21H2,1-4H3,(H,33,37)/t23-,24-,30-/m0/s1
InChIKeyJFKKEIVDTMFBMW-JYUFKMNQSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide (CHEBI:123891) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35333LINCS