EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:100680 - (2S,3S,3aR,9bR)-1-acetyl-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:100680
ChEBI Name(2S,3S,3aR,9bR)-1-acetyl-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC25H24ClN5O4
Net Charge0
Average Mass493.951
Monoisotopic Mass493.15168
SMILESCC(=O)N1[C@H](C(=O)NCc2ccccc2Cl)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cncnc4)c3=O)[C@@H]21
InChIInChI=1S/C25H24ClN5O4/c1-14(33)31-22-18(11-30-21(22)7-6-17(25(30)35)16-8-27-13-28-9-16)19(12-32)23(31)24(34)29-10-15-4-2-3-5-20(15)26/h2-9,13,18-19,22-23,32H,10-12H2,1H3,(H,29,34)/t18-,19-,22+,23-/m0/s1
InChIKeyNRDXZHALSORZQF-LBVMUVSTSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-1-acetyl-N-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:100680) is a amino acid amide (CHEBI:22475)
Manual XrefsDatabases
LSM-12054LINCS