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CHEBI:127359 - N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide

ChEBI IDCHEBI:127359
ChEBI NameN-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
Stars
DownloadsMolfile
FormulaC27H33FN4O5
Net Charge0
Average Mass512.582
Monoisotopic Mass512.24350
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)C3CC3)ccc2O[C@@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C27H33FN4O5/c1-16-13-32(17(2)15-33)26(35)22-12-21(29-25(34)18-4-5-18)10-11-23(22)37-24(16)14-31(3)27(36)30-20-8-6-19(28)7-9-20/h6-12,16-18,24,33H,4-5,13-15H2,1-3H3,(H,29,34)(H,30,36)/t16-,17+,24-/m1/s1
InChIKeyOTRZZVMKCVISTM-XVTZWQNCSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-2-[[[(4-fluoroanilino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide (CHEBI:127359) is a ureas (CHEBI:47857)
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