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CHEBI:129403 - N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methylbenzenesulfonamide

ChEBI IDCHEBI:129403
ChEBI NameN-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methylbenzenesulfonamide
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DownloadsMolfile
FormulaC31H45N3O5S
Net Charge0
Average Mass571.784
Monoisotopic Mass571.30799
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)O3)cc1
InChIInChI=1S/C31H45N3O5S/c1-22-10-13-28(14-11-22)40(37,38)32-27-12-15-29-26(16-27)17-31(36)34(24(3)21-35)18-23(2)30(39-29)20-33(4)19-25-8-6-5-7-9-25/h10-16,23-25,30,32,35H,5-9,17-21H2,1-4H3/t23-,24+,30-/m1/s1
InChIKeyKCQWKQFEFOPDFQ-FSGGQHMVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methylbenzenesulfonamide (CHEBI:129403) is a sulfonamide (CHEBI:35358)
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