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CHEBI:130008 - 4-[[[(3R,9R,10R)-12-[(2R)-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-methylamino]methyl]benzoic acid

ChEBI IDCHEBI:130008
ChEBI Name4-[[[(3R,9R,10R)-12-[(2R)-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-methylamino]methyl]benzoic acid
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC38H47F3N4O7
Net Charge0
Average Mass728.809
Monoisotopic Mass728.33968
SMILESC[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(=O)O)cc2)[C@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(C(F)(F)F)cc3)ccc2O1
InChIInChI=1S/C38H47F3N4O7/c1-24-20-45(25(2)23-46)35(47)32-19-31(43-37(50)42-30-14-12-29(13-15-30)38(39,40)41)16-17-33(32)52-26(3)7-5-6-18-51-34(24)22-44(4)21-27-8-10-28(11-9-27)36(48)49/h8-17,19,24-26,34,46H,5-7,18,20-23H2,1-4H3,(H,48,49)(H2,42,43,50)/t24-,25-,26-,34+/m1/s1
InChIKeyMCLYKCAHKFGNAQ-FXRKCPOXSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[(3R,9R,10R)-12-[(2R)-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-methylamino]methyl]benzoic acid (CHEBI:130008) is a azamacrocycle (CHEBI:52898)
4-[[[(3R,9R,10R)-12-[(2R)-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-methylamino]methyl]benzoic acid (CHEBI:130008) is a lactam (CHEBI:24995)
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