EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:122610 - N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide

ChEBI IDCHEBI:122610
ChEBI NameN-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
Stars
DownloadsMolfile
FormulaC30H42N4O4
Net Charge0
Average Mass522.690
Monoisotopic Mass522.32061
SMILESCO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)N(Cc2cccnc2)C[C@H]1C
InChIInChI=1S/C30H42N4O4/c1-21-17-34(18-23-9-8-14-31-16-23)22(2)20-38-27-15-25(32-29(35)24-10-6-5-7-11-24)12-13-26(27)30(36)33(3)19-28(21)37-4/h8-9,12-16,21-22,24,28H,5-7,10-11,17-20H2,1-4H3,(H,32,35)/t21-,22+,28+/m1/s1
InChIKeyNCAOWLICBBXJJW-WENCSYSZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide (CHEBI:122610) is a azamacrocycle (CHEBI:52898)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide (CHEBI:122610) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-34053LINCS