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CHEBI:97951 - methyl (2R,3R,3aS,9bS)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-6-oxo-1-(2-pyridin-3-ylacetyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylate

ChEBI IDCHEBI:97951
ChEBI Namemethyl (2R,3R,3aS,9bS)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-6-oxo-1-(2-pyridin-3-ylacetyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylate
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DownloadsMolfile
FormulaC25H27N3O5
Net Charge0
Average Mass449.507
Monoisotopic Mass449.19507
SMILESCOC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)Cc1cccnc1
InChIInChI=1S/C25H27N3O5/c1-33-25(32)23-19(14-29)18-13-27-20(9-8-17(24(27)31)16-6-2-3-7-16)22(18)28(23)21(30)11-15-5-4-10-26-12-15/h4-6,8-10,12,18-19,22-23,29H,2-3,7,11,13-14H2,1H3/t18-,19-,22+,23-/m1/s1
InChIKeyMVZYZZDTAGMQFB-PJIZGREPSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
methyl (2R,3R,3aS,9bS)-7-(cyclopenten-1-yl)-3-(hydroxymethyl)-6-oxo-1-(2-pyridin-3-ylacetyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylate (CHEBI:97951) is a N-acyl-amino acid (CHEBI:51569)
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