N-[[(3S,9S,10R)-16-[(4-chlorophenyl)sulfonylamino]-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]-4,4,4-trifluoro-N-methylbutanamide (CHEBI:128269)

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CHEBI:128269 - N-[[(3S,9S,10R)-16-[(4-chlorophenyl)sulfonylamino]-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]-4,4,4-trifluoro-N-methylbutanamide

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ChEBI ID	CHEBI:128269
ChEBI Name	N-[[(3S,9S,10R)-16-[(4-chlorophenyl)sulfonylamino]-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]-4,4,4-trifluoro-N-methylbutanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C32H43ClF3N3O7S
Net Charge	0
Average Mass	706.224
Monoisotopic Mass	705.24623
SMILES	C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2O[C@@H](C)CCCCO[C@@H]1CN(C)C(=O)CCC(F)(F)F
InChI	InChI=1S/C32H43ClF3N3O7S/c1-21-18-39(22(2)20-40)31(42)27-17-25(37-47(43,44)26-11-8-24(33)9-12-26)10-13-28(27)46-23(3)7-5-6-16-45-29(21)19-38(4)30(41)14-15-32(34,35)36/h8-13,17,21-23,29,37,40H,5-7,14-16,18-20H2,1-4H3/t21-,22-,23+,29-/m1/s1
InChIKey	HICHWNNNCJDVID-LDIMMVFUSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9S,10R)-16-[(4-chlorophenyl)sulfonylamino]-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]-4,4,4-trifluoro-N-methylbutanamide (CHEBI:128269) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9S,10R)-16-[(4-chlorophenyl)sulfonylamino]-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]-4,4,4-trifluoro-N-methylbutanamide (CHEBI:128269) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39824	LINCS