4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:107002)

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CHEBI:107002 - 4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)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:107002
ChEBI Name	4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)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	C32H45F3N4O5
Net Charge	0
Average Mass	622.729
Monoisotopic Mass	622.33421
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)Cc1ccncc1
InChI	InChI=1S/C32H45F3N4O5/c1-22-18-39(23(2)21-40)31(42)27-17-26(37-30(41)10-13-32(33,34)35)8-9-28(27)44-24(3)7-5-6-16-43-29(22)20-38(4)19-25-11-14-36-15-12-25/h8-9,11-12,14-15,17,22-24,29,40H,5-7,10,13,16,18-21H2,1-4H3,(H,37,41)/t22-,23-,24+,29+/m1/s1
InChIKey	CWMFJYTZROJEEY-CHCBTGSZSA-N

ChEBI Ontology

Outgoing Relation(s)
	4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:107002) is a azamacrocycle (CHEBI:52898)
	4,4,4-trifluoro-N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:107002) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-18356	LINCS