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CHEBI:111750 - 4-(dimethylamino)-N-[(2R,3S)-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]butanamide

ChEBI IDCHEBI:111750
ChEBI Name4-(dimethylamino)-N-[(2R,3S)-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]butanamide
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DownloadsMolfile
FormulaC29H40FN5O5
Net Charge0
Average Mass557.667
Monoisotopic Mass557.30135
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCCN(C)C)ccc2O[C@H]1CN(C)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C29H40FN5O5/c1-19-16-35(20(2)18-36)28(38)24-15-23(31-27(37)7-6-14-33(3)4)12-13-25(24)40-26(19)17-34(5)29(39)32-22-10-8-21(30)9-11-22/h8-13,15,19-20,26,36H,6-7,14,16-18H2,1-5H3,(H,31,37)(H,32,39)/t19-,20-,26-/m0/s1
InChIKeyUQFLYQXQOZGCNB-DYLHXGEVSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(dimethylamino)-N-[(2R,3S)-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]butanamide (CHEBI:111750) is a ureas (CHEBI:47857)
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