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CHEBI:130084 - 3-(2,5-difluorophenyl)-1-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea

ChEBI IDCHEBI:130084
ChEBI Name3-(2,5-difluorophenyl)-1-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea
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DownloadsMolfile
FormulaC27H33F2N5O4
Net Charge0
Average Mass529.588
Monoisotopic Mass529.25006
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2cc(F)ccc2F)Oc2ncc(C#CCN(C)C)cc2C1=O
InChIInChI=1S/C27H33F2N5O4/c1-17-14-34(18(2)16-35)26(36)21-11-19(7-6-10-32(3)4)13-30-25(21)38-24(17)15-33(5)27(37)31-23-12-20(28)8-9-22(23)29/h8-9,11-13,17-18,24,35H,10,14-16H2,1-5H3,(H,31,37)/t17-,18+,24-/m0/s1
InChIKeyNXNNTLLENCNWNJ-RHGYRFJNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(2,5-difluorophenyl)-1-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea (CHEBI:130084) is a ureas (CHEBI:47857)
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