EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:127653 - N-(2-aminophenyl)-4-[[[(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide

Default Structure
ChEBI IDCHEBI:127653
ChEBI NameN-(2-aminophenyl)-4-[[[(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
Stars
DownloadsMolfile
FormulaC33H43N5O4
Net Charge0
Average Mass573.738
Monoisotopic Mass573.33150
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(N(C)C)ccc2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C33H43N5O4/c1-22-18-38(23(2)21-39)32(40)17-26-16-27(36(3)4)14-15-30(26)42-31(22)20-37(5)19-24-10-12-25(13-11-24)33(41)35-29-9-7-6-8-28(29)34/h6-16,22-23,31,39H,17-21,34H2,1-5H3,(H,35,41)/t22-,23-,31-/m0/s1
InChIKeyZBLCOVKAEUNWGN-BVXAZASISA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-4-[[[(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide (CHEBI:127653) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-39210LINCS