N-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-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-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:127844)

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CHEBI:127844 - N-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-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-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide

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ChEBI ID	CHEBI:127844
ChEBI Name	N-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-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-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H45FN4O9S2
Net Charge	0
Average Mass	724.874
Monoisotopic Mass	724.26120
SMILES	Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(F)cc1)OCCCC[C@H](C)O2
InChI	InChI=1S/C33H45FN4O9S2/c1-21-18-38(22(2)20-39)33(40)29-17-27(36-48(41,42)32-24(4)35-47-25(32)5)12-15-30(29)46-23(3)9-7-8-16-45-31(21)19-37(6)49(43,44)28-13-10-26(34)11-14-28/h10-15,17,21-23,31,36,39H,7-9,16,18-20H2,1-6H3/t21-,22+,23-,31-/m0/s1
InChIKey	NRPGAKRDFMPQNK-XYSYJMIKSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-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-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:127844) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9R,10S)-9-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-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-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide (CHEBI:127844) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39400	LINCS