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CHEBI:127285 - N-(2-aminophenyl)-4-[[[(3R,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-methylamino]methyl]benzamide

Default Structure
ChEBI IDCHEBI:127285
ChEBI NameN-(2-aminophenyl)-4-[[[(3R,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-methylamino]methyl]benzamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC43H53FN6O6
Net Charge0
Average Mass768.931
Monoisotopic Mass768.40106
SMILESC[C@@H]1CCCCO[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1
InChIInChI=1S/C43H53FN6O6/c1-28-24-50(29(2)27-51)42(53)36-23-35(47-43(54)46-34-18-16-33(44)17-19-34)20-21-39(36)56-30(3)9-7-8-22-55-40(28)26-49(4)25-31-12-14-32(15-13-31)41(52)48-38-11-6-5-10-37(38)45/h5-6,10-21,23,28-30,40,51H,7-9,22,24-27,45H2,1-4H3,(H,48,52)(H2,46,47,54)/t28-,29+,30+,40-/m0/s1
InChIKeySOCVPVCOGFDULT-ZORUDCLVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-4-[[[(3R,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-methylamino]methyl]benzamide (CHEBI:127285) is a benzamides (CHEBI:22702)
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