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CHEBI:96170 - 1-[[(2R,3S)-8-[2-(3,4-dimethoxyphenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea

ChEBI IDCHEBI:96170
ChEBI Name1-[[(2R,3S)-8-[2-(3,4-dimethoxyphenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea
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DownloadsMolfile
FormulaC31H37N5O7
Net Charge0
Average Mass591.665
Monoisotopic Mass591.26930
SMILESCOc1ccc(C#Cc2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc2c(C)noc2C)O3)cc1OC
InChIInChI=1S/C31H37N5O7/c1-18-15-36(19(2)17-37)30(38)24-12-23(9-8-22-10-11-25(40-6)26(13-22)41-7)14-32-29(24)42-27(18)16-35(5)31(39)33-28-20(3)34-43-21(28)4/h10-14,18-19,27,37H,15-17H2,1-7H3,(H,33,39)/t18-,19+,27-/m0/s1
InChIKeyHGXFGBIPLMFRTM-CUMRGQLISA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(2R,3S)-8-[2-(3,4-dimethoxyphenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea (CHEBI:96170) is a dimethoxybenzene (CHEBI:51681)
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