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CHEBI:129061 - 1-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea

ChEBI IDCHEBI:129061
ChEBI Name1-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC38H48F3N5O7
Net Charge0
Average Mass743.824
Monoisotopic Mass743.35058
SMILESCOc1ccc(NC(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
InChIInChI=1S/C38H48F3N5O7/c1-24-21-46(25(2)23-47)35(48)32-20-30(43-36(49)42-28-11-9-27(10-12-28)38(39,40)41)15-18-33(32)53-26(3)8-6-7-19-52-34(24)22-45(4)37(50)44-29-13-16-31(51-5)17-14-29/h9-18,20,24-26,34,47H,6-8,19,21-23H2,1-5H3,(H,44,50)(H2,42,43,49)/t24-,25-,26+,34+/m0/s1
InChIKeyACQXGQRETPVUSO-BEAGFIRGSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:129061) is a azamacrocycle (CHEBI:52898)
1-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-methoxyphenyl)-1-methylurea (CHEBI:129061) is a lactam (CHEBI:24995)
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