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CHEBI:126308 - 1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[[(1-naphthalenylamino)-oxomethyl]amino]-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:126308
ChEBI Name1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[[(1-naphthalenylamino)-oxomethyl]amino]-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
FormulaC41H48F3N5O6
Net Charge0
Average Mass763.858
Monoisotopic Mass763.35567
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)Nc3cccc4ccccc34)cc2C1=O
InChIInChI=1S/C41H48F3N5O6/c1-26-23-49(27(2)25-50)38(51)34-22-32(45-39(52)47-35-14-9-12-29-11-5-6-13-33(29)35)19-20-36(34)55-28(3)10-7-8-21-54-37(26)24-48(4)40(53)46-31-17-15-30(16-18-31)41(42,43)44/h5-6,9,11-20,22,26-28,37,50H,7-8,10,21,23-25H2,1-4H3,(H,46,53)(H2,45,47,52)/t26-,27+,28-,37-/m0/s1
InChIKeyNWLXXCWQRNKJOL-KMWYLJRQSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[[(1-naphthalenylamino)-oxomethyl]amino]-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:126308) is a azamacrocycle (CHEBI:52898)
1-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-16-[[(1-naphthalenylamino)-oxomethyl]amino]-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:126308) is a lactam (CHEBI:24995)
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