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CHEBI:128296 - 1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea

ChEBI IDCHEBI:128296
ChEBI Name1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC37H45F4N5O6
Net Charge0
Average Mass731.788
Monoisotopic Mass731.33060
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C37H45F4N5O6/c1-23-20-46(24(2)22-47)34(48)31-19-30(43-35(49)42-28-14-10-27(38)11-15-28)16-17-32(31)52-25(3)7-5-6-18-51-33(23)21-45(4)36(50)44-29-12-8-26(9-13-29)37(39,40)41/h8-17,19,23-25,33,47H,5-7,18,20-22H2,1-4H3,(H,44,50)(H2,42,43,49)/t23-,24+,25-,33-/m0/s1
InChIKeyYOPXVAOAMXXDLX-QXXCKKGJSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:128296) is a azamacrocycle (CHEBI:52898)
1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea (CHEBI:128296) is a lactam (CHEBI:24995)
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