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CHEBI:129575 - N-(2-aminophenyl)-4-[[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[[(4-methoxyanilino)-oxomethyl]amino]-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:129575
ChEBI NameN-(2-aminophenyl)-4-[[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[[(4-methoxyanilino)-oxomethyl]amino]-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
FormulaC44H56N6O7
Net Charge0
Average Mass780.967
Monoisotopic Mass780.42105
SMILESCOc1ccc(NC(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc2ccc(C(=O)Nc4ccccc4N)cc2)OCCCC[C@@H](C)O3)cc1
InChIInChI=1S/C44H56N6O7/c1-29-25-50(30(2)28-51)43(53)37-24-35(47-44(54)46-34-17-20-36(55-5)21-18-34)19-22-40(37)57-31(3)10-8-9-23-56-41(29)27-49(4)26-32-13-15-33(16-14-32)42(52)48-39-12-7-6-11-38(39)45/h6-7,11-22,24,29-31,41,51H,8-10,23,25-28,45H2,1-5H3,(H,48,52)(H2,46,47,54)/t29-,30+,31+,41-/m0/s1
InChIKeyQJIARHQWIRWSQE-DLQZEWICSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-4-[[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-[[(4-methoxyanilino)-oxomethyl]amino]-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:129575) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
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