EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129879 - N-(2-aminophenyl)-4-[[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide

Default Structure
ChEBI IDCHEBI:129879
ChEBI NameN-(2-aminophenyl)-4-[[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide
Stars
DownloadsMolfile
FormulaC40H42N6O5S
Net Charge0
Average Mass718.880
Monoisotopic Mass718.29374
SMILESC[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccc(-c4nccs4)cc3)c2O[C@H]1CN(C)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C40H42N6O5S/c1-25-21-46(26(2)24-47)40(50)31-7-6-10-34(44-38(49)29-15-17-30(18-16-29)39-42-19-20-52-39)36(31)51-35(25)23-45(3)22-27-11-13-28(14-12-27)37(48)43-33-9-5-4-8-32(33)41/h4-20,25-26,35,47H,21-24,41H2,1-3H3,(H,43,48)(H,44,49)/t25-,26-,35-/m0/s1
InChIKeyUIWHTZIAIXNFGN-UXVOWUFOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-4-[[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-10-[[oxo-[4-(2-thiazolyl)phenyl]methyl]amino]-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide (CHEBI:129879) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-41430LINCS