4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:110934)

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CHEBI:110934 - 4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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:110934
ChEBI Name	4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
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Downloads	Molfile

Formula	C26H40F3N3O5
Net Charge	0
Average Mass	531.616
Monoisotopic Mass	531.29201
SMILES	CNC[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@@H](C)CO)C[C@H]1C
InChI	InChI=1S/C26H40F3N3O5/c1-17-15-32(18(2)16-33)25(35)21-13-20(31-24(34)10-11-26(27,28)29)8-9-22(21)37-19(3)7-5-6-12-36-23(17)14-30-4/h8-9,13,17-19,23,30,33H,5-7,10-12,14-16H2,1-4H3,(H,31,34)/t17-,18+,19+,23-/m1/s1
InChIKey	QBUCHBBMZJBUJI-GKAYAJSDSA-N

ChEBI Ontology

Outgoing Relation(s)
	4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:110934) is a azamacrocycle (CHEBI:52898)
	4,4,4-trifluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide (CHEBI:110934) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-22378	LINCS