EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:102593 - (2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-[3-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:102593
ChEBI Name(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-[3-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC25H30N4O4
Net Charge0
Average Mass450.539
Monoisotopic Mass450.22671
SMILESCN(C)C(=O)c1cccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)NCC4CC4)N[C@@H]32)c1
InChIInChI=1S/C25H30N4O4/c1-28(2)24(32)16-5-3-4-15(10-16)17-8-9-20-21-18(12-29(20)25(17)33)19(13-30)22(27-21)23(31)26-11-14-6-7-14/h3-5,8-10,14,18-19,21-22,27,30H,6-7,11-13H2,1-2H3,(H,26,31)/t18-,19-,21+,22-/m0/s1
InChIKeyBQHFMDKBCXXEDN-MPJJRAAHSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-N-(cyclopropylmethyl)-7-[3-[dimethylamino(oxo)methyl]phenyl]-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:102593) is a phenylpyridine (CHEBI:38193)
Manual XrefsDatabases
LSM-13940LINCS