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CHEBI:128774 - N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

ChEBI IDCHEBI:128774
ChEBI NameN-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
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DownloadsMolfile
FormulaC31H39N3O5S
Net Charge0
Average Mass565.736
Monoisotopic Mass565.26104
SMILESC[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NS(C)(=O)=O)ccc2O[C@@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C31H39N3O5S/c1-22-18-34(23(2)21-35)31(36)17-27-16-28(32-40(4,37)38)14-15-29(27)39-30(22)20-33(3)19-24-10-12-26(13-11-24)25-8-6-5-7-9-25/h5-16,22-23,30,32,35H,17-21H2,1-4H3/t22-,23-,30-/m1/s1
InChIKeyXYJNBNRQTGEDGH-IQLGONJTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:128774) is a biphenyls (CHEBI:22888)
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