EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130855 - N-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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]benzamide

ChEBI IDCHEBI:130855
ChEBI NameN-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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]benzamide
Stars
DownloadsMolfile
FormulaC33H47N3O5
Net Charge0
Average Mass565.755
Monoisotopic Mass565.35157
SMILESC[C@H]1CCCCO[C@@H](CN(C)CC2CC2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccccc3)ccc2O1
InChIInChI=1S/C33H47N3O5/c1-23-19-36(24(2)22-37)33(39)29-18-28(34-32(38)27-11-6-5-7-12-27)15-16-30(29)41-25(3)10-8-9-17-40-31(23)21-35(4)20-26-13-14-26/h5-7,11-12,15-16,18,23-26,31,37H,8-10,13-14,17,19-22H2,1-4H3,(H,34,38)/t23-,24-,25-,31-/m0/s1
InChIKeySJWFFWCCDVHJSO-OSYMNAPVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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]benzamide (CHEBI:130855) is a azamacrocycle (CHEBI:52898)
N-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]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]benzamide (CHEBI:130855) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-42404LINCS