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CHEBI:113703 - N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide

ChEBI IDCHEBI:113703
ChEBI NameN-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide
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FormulaC30H37N3O5S
Net Charge0
Average Mass551.709
Monoisotopic Mass551.24539
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cccc(NS(C)(=O)=O)c2O[C@H]1CN(C)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C30H37N3O5S/c1-21-17-33(22(2)20-34)30(35)26-11-8-12-27(31-39(4,36)37)29(26)38-28(21)19-32(3)18-23-13-15-25(16-14-23)24-9-6-5-7-10-24/h5-16,21-22,28,31,34H,17-20H2,1-4H3/t21-,22+,28+/m1/s1
InChIKeyYVBCCXLDGZBBDC-WENCSYSZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide (CHEBI:113703) is a biphenyls (CHEBI:22888)
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