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CHEBI:114160 - 4-[[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl-methylamino]methyl]benzoic acid

ChEBI IDCHEBI:114160
ChEBI Name4-[[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl-methylamino]methyl]benzoic acid
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DownloadsMolfile
FormulaC30H35N3O6
Net Charge0
Average Mass533.625
Monoisotopic Mass533.25259
SMILESCOc1cccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)O)cc2)O3)c1
InChIInChI=1S/C30H35N3O6/c1-19-15-33(20(2)18-34)29(35)26-13-24(23-6-5-7-25(12-23)38-4)14-31-28(26)39-27(19)17-32(3)16-21-8-10-22(11-9-21)30(36)37/h5-14,19-20,27,34H,15-18H2,1-4H3,(H,36,37)/t19-,20+,27-/m0/s1
InChIKeyOEKKMSVCCRMVHL-VKIDHGPPSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyphenyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl-methylamino]methyl]benzoic acid (CHEBI:114160) is a phenylpyridine (CHEBI:38193)
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