EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130540 - 4-[4-[(6R,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]-N,N-dimethylbenzamide

ChEBI IDCHEBI:130540
ChEBI Name4-[4-[(6R,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]-N,N-dimethylbenzamide
Stars
DownloadsMolfile
FormulaC27H31N3O4
Net Charge0
Average Mass461.562
Monoisotopic Mass461.23146
SMILESCN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)CC5CC5)C[C@@H]34)cc2)cc1
InChIInChI=1S/C27H31N3O4/c1-28(2)27(34)21-11-7-19(8-12-21)18-5-9-20(10-6-18)26-22-14-29(24(32)13-17-3-4-17)15-25(33)30(22)23(26)16-31/h5-12,17,22-23,26,31H,3-4,13-16H2,1-2H3/t22-,23+,26-/m0/s1
InChIKeyUXHPJSJBAOCQQE-ZEVJAHDQSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[4-[(6R,7S,8S)-4-(2-cyclopropyl-1-oxoethyl)-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octan-7-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:130540) is a biphenyls (CHEBI:22888)
Manual XrefsDatabases
LSM-42089LINCS