EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:112502 - N-(2-aminophenyl)-4-[[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl-methylamino]methyl]benzamide

Default Structure
ChEBI IDCHEBI:112502
ChEBI NameN-(2-aminophenyl)-4-[[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl-methylamino]methyl]benzamide
Stars
DownloadsMolfile
FormulaC30H41N7O4
Net Charge0
Average Mass563.703
Monoisotopic Mass563.32200
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C30H41N7O4/c1-21-15-37(22(2)19-38)29(39)9-6-14-36-17-25(33-34-36)20-41-28(21)18-35(3)16-23-10-12-24(13-11-23)30(40)32-27-8-5-4-7-26(27)31/h4-5,7-8,10-13,17,21-22,28,38H,6,9,14-16,18-20,31H2,1-3H3,(H,32,40)/t21-,22+,28-/m1/s1
InChIKeyUVZKFWVLTKDOOG-RZIGYZOXSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-4-[[[(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl-methylamino]methyl]benzamide (CHEBI:112502) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-23914LINCS