N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:126898)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:126898 - N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide

Take structure to advanced search

ChEBI ID	CHEBI:126898
ChEBI Name	N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C32H43F3N4O6
Net Charge	0
Average Mass	636.712
Monoisotopic Mass	636.31347
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)c2ccncc2)OCCCC[C@H](C)Oc2ccc(NC(=O)CCC(F)(F)F)cc2C1=O
InChI	InChI=1S/C32H43F3N4O6/c1-21-18-39(22(2)20-40)31(43)26-17-25(37-29(41)10-13-32(33,34)35)8-9-27(26)45-23(3)7-5-6-16-44-28(21)19-38(4)30(42)24-11-14-36-15-12-24/h8-9,11-12,14-15,17,21-23,28,40H,5-7,10,13,16,18-20H2,1-4H3,(H,37,41)/t21-,22+,23-,28-/m0/s1
InChIKey	CMXVWOIHWVHBCI-KYALDGGBSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:126898) is a azamacrocycle (CHEBI:52898)
	N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[(4,4,4-trifluoro-1-oxobutyl)amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-4-pyridinecarboxamide (CHEBI:126898) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-38461	LINCS