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CHEBI:128622 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide

ChEBI IDCHEBI:128622
ChEBI NameN-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide
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DownloadsMolfile
FormulaC33H37N3O5S2
Net Charge0
Average Mass619.809
Monoisotopic Mass619.21746
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C33H37N3O5S2/c1-23-19-36(24(2)22-37)33(38)29-18-28(34-43(39,40)32-10-7-17-42-32)15-16-30(29)41-31(23)21-35(3)20-25-11-13-27(14-12-25)26-8-5-4-6-9-26/h4-18,23-24,31,34,37H,19-22H2,1-3H3/t23-,24-,31-/m0/s1
InChIKeyKKIBSBJIDVTTMR-MKGJDZFWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-thiophenesulfonamide (CHEBI:128622) is a biphenyls (CHEBI:22888)
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