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-methyl-2-phenylacetamide (CHEBI:127591)

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CHEBI:127591 - 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-methyl-2-phenylacetamide

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ChEBI ID	CHEBI:127591
ChEBI Name	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-methyl-2-phenylacetamide
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Last Modified	3 March 2016
Downloads	Molfile

Formula	C37H47FN4O6
Net Charge	0
Average Mass	662.803
Monoisotopic Mass	662.34796
SMILES	C[C@H]1CCCCO[C@H](CN(C)C(=O)Cc2ccccc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1
InChI	InChI=1S/C37H47FN4O6/c1-25-22-42(26(2)24-43)36(45)32-21-31(40-37(46)39-30-15-13-29(38)14-16-30)17-18-33(32)48-27(3)10-8-9-19-47-34(25)23-41(4)35(44)20-28-11-6-5-7-12-28/h5-7,11-18,21,25-27,34,43H,8-10,19-20,22-24H2,1-4H3,(H2,39,40,46)/t25-,26-,27-,34+/m0/s1
InChIKey	OIMKOVUMAGLQLA-CBUCOWSNSA-N

ChEBI Ontology

Outgoing Relation(s)
	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-methyl-2-phenylacetamide (CHEBI:127591) is a azamacrocycle (CHEBI:52898)
	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-methyl-2-phenylacetamide (CHEBI:127591) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39148	LINCS