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CHEBI:127747 - 1-[(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]-3-(4-methoxyphenyl)urea

ChEBI IDCHEBI:127747
ChEBI Name1-[(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]-3-(4-methoxyphenyl)urea
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DownloadsMolfile
FormulaC37H42N4O5
Net Charge0
Average Mass622.766
Monoisotopic Mass622.31552
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(-c4ccccc4)cc2)O3)cc1
InChIInChI=1S/C37H42N4O5/c1-25-21-41(26(2)24-42)36(43)33-20-31(39-37(44)38-30-14-17-32(45-4)18-15-30)16-19-34(33)46-35(25)23-40(3)22-27-10-12-29(13-11-27)28-8-6-5-7-9-28/h5-20,25-26,35,42H,21-24H2,1-4H3,(H2,38,39,44)/t25-,26-,35-/m0/s1
InChIKeyBRPKOIUAXBFUAW-UXVOWUFOSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(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]-3-(4-methoxyphenyl)urea (CHEBI:127747) is a biphenyls (CHEBI:22888)
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