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]cyclohexanecarboxamide (CHEBI:129902)

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CHEBI:129902 - 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]cyclohexanecarboxamide

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ChEBI ID	CHEBI:129902
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]cyclohexanecarboxamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C35H50FN3O7S
Net Charge	0
Average Mass	675.864
Monoisotopic Mass	675.33535
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(F)cc2)OCCCC[C@H](C)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O
InChI	InChI=1S/C35H50FN3O7S/c1-24-21-39(25(2)23-40)35(42)31-20-29(37-34(41)27-11-6-5-7-12-27)15-18-32(31)46-26(3)10-8-9-19-45-33(24)22-38(4)47(43,44)30-16-13-28(36)14-17-30/h13-18,20,24-27,33,40H,5-12,19,21-23H2,1-4H3,(H,37,41)/t24-,25+,26-,33-/m0/s1
InChIKey	UFFXBMXALLVAPW-CEMVDLCSSA-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]cyclohexanecarboxamide (CHEBI:129902) 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]cyclohexanecarboxamide (CHEBI:129902) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41453	LINCS