N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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]-4,4,4-trifluorobutanamide (CHEBI:106769)

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CHEBI:106769 - N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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]-4,4,4-trifluorobutanamide

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ChEBI ID	CHEBI:106769
ChEBI Name	N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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]-4,4,4-trifluorobutanamide
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Downloads	Molfile

Formula	C27H42F3N3O5
Net Charge	0
Average Mass	545.643
Monoisotopic Mass	545.30766
SMILES	C[C@H]1CCCCO[C@H](CN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1
InChI	InChI=1S/C27H42F3N3O5/c1-18-15-33(19(2)17-34)26(36)22-14-21(31-25(35)11-12-27(28,29)30)9-10-23(22)38-20(3)8-6-7-13-37-24(18)16-32(4)5/h9-10,14,18-20,24,34H,6-8,11-13,15-17H2,1-5H3,(H,31,35)/t18-,19-,20-,24+/m0/s1
InChIKey	JFWSYQFTTWMPPF-AZXNSQLWSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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]-4,4,4-trifluorobutanamide (CHEBI:106769) is a azamacrocycle (CHEBI:52898)
	N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-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]-4,4,4-trifluorobutanamide (CHEBI:106769) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-18124	LINCS