EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126547 - N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide

ChEBI IDCHEBI:126547
ChEBI NameN-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC39H47N5O6
Net Charge0
Average Mass681.834
Monoisotopic Mass681.35263
SMILESC[C@@H]1CCCCO[C@H](CN(C)C(=O)Nc2cccc3ccccc23)[C@@H](C)CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O1
InChIInChI=1S/C39H47N5O6/c1-26-23-44(27(2)25-45)38(47)33-22-31(41-37(46)30-17-19-40-20-18-30)15-16-35(33)50-28(3)10-7-8-21-49-36(26)24-43(4)39(48)42-34-14-9-12-29-11-5-6-13-32(29)34/h5-6,9,11-20,22,26-28,36,45H,7-8,10,21,23-25H2,1-4H3,(H,41,46)(H,42,48)/t26-,27+,28+,36+/m0/s1
InChIKeyUHIMEEWAODCTDO-WANAZDAXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:126547) is a azamacrocycle (CHEBI:52898)
N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide (CHEBI:126547) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-38111LINCS