4-(dimethylamino)-N-[[(3S,9S,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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-9-yl]methyl]-N-methylbutanamide (CHEBI:130881)

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CHEBI:130881 - 4-(dimethylamino)-N-[[(3S,9S,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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-9-yl]methyl]-N-methylbutanamide

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ChEBI ID	CHEBI:130881
ChEBI Name	4-(dimethylamino)-N-[[(3S,9S,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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-9-yl]methyl]-N-methylbutanamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C35H52FN5O6
Net Charge	0
Average Mass	657.828
Monoisotopic Mass	657.39016
SMILES	C[C@H]1CCCCO[C@H](CN(C)C(=O)CCCN(C)C)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1
InChI	InChI=1S/C35H52FN5O6/c1-24-21-41(25(2)23-42)34(44)30-20-29(38-35(45)37-28-14-12-27(36)13-15-28)16-17-31(30)47-26(3)10-7-8-19-46-32(24)22-40(6)33(43)11-9-18-39(4)5/h12-17,20,24-26,32,42H,7-11,18-19,21-23H2,1-6H3,(H2,37,38,45)/t24-,25-,26-,32+/m0/s1
InChIKey	WYEISGQQLUDJPT-PXSDZQOHSA-N

ChEBI Ontology

Outgoing Relation(s)
	4-(dimethylamino)-N-[[(3S,9S,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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-9-yl]methyl]-N-methylbutanamide (CHEBI:130881) is a azamacrocycle (CHEBI:52898)
	4-(dimethylamino)-N-[[(3S,9S,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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-9-yl]methyl]-N-methylbutanamide (CHEBI:130881) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-42430	LINCS