(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:100394)

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CHEBI:100394 - (2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester

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ChEBI ID	CHEBI:100394
ChEBI Name	(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
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Last Modified	9 March 2018
Downloads	Molfile

Formula	C24H25FN2O5
Net Charge	0
Average Mass	440.471
Monoisotopic Mass	440.17475
SMILES	COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1C(=O)C1CCC1
InChI	InChI=1S/C24H25FN2O5/c1-32-24(31)21-18(12-28)17-11-26-19(20(17)27(21)22(29)14-3-2-4-14)10-9-16(23(26)30)13-5-7-15(25)8-6-13/h5-10,14,17-18,20-21,28H,2-4,11-12H2,1H3/t17-,18-,20+,21-/m0/s1
InChIKey	YQHVQTZYSLOMSV-MMKMLUHNSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:100394) is a methyl ester (CHEBI:25248)
	(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:100394) is a organic heterotricyclic compound (CHEBI:26979)
	(2S,3S,3aR,9bR)-1-[cyclobutyl(oxo)methyl]-7-(4-fluorophenyl)-3-(hydroxymethyl)-6-oxo-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:100394) is a tertiary carboxamide (CHEBI:140326)

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