4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:129643)

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CHEBI:129643 - 4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide

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ChEBI ID	CHEBI:129643
ChEBI Name	4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C30H43F6N3O6
Net Charge	0
Average Mass	655.677
Monoisotopic Mass	655.30561
SMILES	C[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)C(=O)CCC(F)(F)F
InChI	InChI=1S/C30H43F6N3O6/c1-19-16-39(20(2)18-40)28(43)23-15-22(37-26(41)10-12-29(31,32)33)8-9-24(23)45-21(3)7-5-6-14-44-25(19)17-38(4)27(42)11-13-30(34,35)36/h8-9,15,19-21,25,40H,5-7,10-14,16-18H2,1-4H3,(H,37,41)/t19-,20+,21+,25+/m1/s1
InChIKey	VVKQUOIOXTWGEY-VWEIPLKFSA-N

ChEBI Ontology

Outgoing Relation(s)
	4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:129643) is a azamacrocycle (CHEBI:52898)
	4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(4,4,4-trifluoro-1-oxobutyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:129643) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-41194	LINCS