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CHEBI:108909 - N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide

ChEBI IDCHEBI:108909
ChEBI NameN-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide
Stars
DownloadsMolfile
FormulaC28H31FN6O5
Net Charge0
Average Mass550.591
Monoisotopic Mass550.23400
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)Oc2c(NC(=O)c3cnccn3)cccc2C1=O
InChIInChI=1S/C28H31FN6O5/c1-17-14-35(18(2)16-36)27(38)21-5-4-6-22(33-26(37)23-13-30-11-12-31-23)25(21)40-24(17)15-34(3)28(39)32-20-9-7-19(29)8-10-20/h4-13,17-18,24,36H,14-16H2,1-3H3,(H,32,39)(H,33,37)/t17-,18+,24+/m0/s1
InChIKeyCPPFQQQOTXHNMM-HOOSLVGPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3S)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2-pyrazinecarboxamide (CHEBI:108909) is a ureas (CHEBI:47857)
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