N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:128404)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:128404 - N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide

Take structure to advanced search

ChEBI ID	CHEBI:128404
ChEBI Name	N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide
Stars
Last Modified	3 March 2016
Downloads	Molfile

Formula	C35H48N4O6S
Net Charge	0
Average Mass	652.858
Monoisotopic Mass	652.32946
SMILES	Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccncc2)OCCCC[C@@H](C)O3)cc1
InChI	InChI=1S/C35H48N4O6S/c1-25-9-12-31(13-10-25)46(42,43)37-30-11-14-33-32(20-30)35(41)39(27(3)24-40)21-26(2)34(44-19-7-6-8-28(4)45-33)23-38(5)22-29-15-17-36-18-16-29/h9-18,20,26-28,34,37,40H,6-8,19,21-24H2,1-5H3/t26-,27-,28+,34+/m0/s1
InChIKey	CEIZHSCRNFMPMR-GQQHPYRYSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:128404) is a azamacrocycle (CHEBI:52898)
	N-[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide (CHEBI:128404) is a lactam (CHEBI:24995)

Manual Xrefs	Databases
LSM-39959	LINCS