CHEBI:100401 - (2S,3S,3aR,9bR)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S,3aR,9bR)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
ChEBI ID CHEBI:100401
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H36N4O5
Net Charge 0
Average Mass 496.600
Monoisotopic Mass 496.26857
InChI InChI=1S/C27H36N4O5/c1-5-23(33)31-24-19(20(16-32)25(31)26(34)28-13-8-14-29(2)3)15-30-21(24)12-11-18(27(30)35)17-9-6-7-10-22(17)36-4/h6-7,9-12,19-20,24-25,32H,5,8,13-16H2,1-4H3,(H,28,34)/t19-,20-,24+,25-/m0/s1
InChIKey GDXCTQXPLLMICC-UIYANEJRSA-N
SMILES CCC(=O)N1[C@@H]2[C@@H](CN3C2=CC=C(C3=O)C4=CC=CC=C4OC)[C@@H]([C@H]1C(=O)NCCCN(C)C)CO
ChEBI Ontology
Outgoing (2S,3S,3aR,9bR)-N-[3-(dimethylamino)propyl]-3-(hydroxymethyl)-7-(2-methoxyphenyl)-6-oxo-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:100401) is a phenylpyridine (CHEBI:38193)
Manual Xref Database
LSM-11776 LINCS
View more database links