N-[(3R,9S,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]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:127751)

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CHEBI:127751 - N-[(3R,9S,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]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:127751
ChEBI Name	N-[(3R,9S,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]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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Last Modified	3 March 2016
Downloads	Molfile

Formula	C33H51F3N4O6
Net Charge	0
Average Mass	656.787
Monoisotopic Mass	656.37607
SMILES	C[C@@H]1CCCCO[C@H](CN(C)C(=O)NC2CCCCC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1
InChI	InChI=1S/C33H51F3N4O6/c1-22-19-40(23(2)21-41)31(43)27-18-26(37-30(42)15-16-33(34,35)36)13-14-28(27)46-24(3)10-8-9-17-45-29(22)20-39(4)32(44)38-25-11-6-5-7-12-25/h13-14,18,22-25,29,41H,5-12,15-17,19-21H2,1-4H3,(H,37,42)(H,38,44)/t22-,23-,24+,29+/m0/s1
InChIKey	VCBFKXUOUMVBRD-PHBCIFJZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9S,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]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:127751) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9S,10S)-9-[[[(cyclohexylamino)-oxomethyl]-methylamino]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:127751) is a lactam (CHEBI:24995)

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