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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
ChEBI ID CHEBI:102593
Stars This entity has been manually annotated by a third party.
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Formula C25H30N4O4
Net Charge 0
Average Mass 450.531
Monoisotopic Mass 450.22671
InChI InChI=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
InChIKey BQHFMDKBCXXEDN-MPJJRAAHSA-N
SMILES CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4)C(=O)NCC5CC5)CO
ChEBI Ontology
Outgoing (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 Xref Database
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