EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:131074 - N-(2-aminophenyl)-4-[[[(2S,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-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:131074
ChEBI NameN-(2-aminophenyl)-4-[[[(2S,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
Stars
DownloadsMolfile
FormulaC38H43FN6O5
Net Charge0
Average Mass682.797
Monoisotopic Mass682.32790
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(C(=O)Nc3ccccc3N)cc2)Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2CC1=O
InChIInChI=1S/C38H43FN6O5/c1-24-20-45(25(2)23-46)36(47)19-28-18-31(42-38(49)41-30-14-12-29(39)13-15-30)16-17-34(28)50-35(24)22-44(3)21-26-8-10-27(11-9-26)37(48)43-33-7-5-4-6-32(33)40/h4-18,24-25,35,46H,19-23,40H2,1-3H3,(H,43,48)(H2,41,42,49)/t24-,25+,35+/m0/s1
InChIKeyBCUCLIMAYGDMQB-OYJDADHOSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-aminophenyl)-4-[[[(2S,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide (CHEBI:131074) is a benzamides (CHEBI:22702)
Manual XrefsDatabases
LSM-42622LINCS