CHEBI:102483 - (2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester
ChEBI ID CHEBI:102483
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C24H25N3O5S
Net Charge 0
Average Mass 467.539
Monoisotopic Mass 467.15149
InChI InChI=1S/C24H25N3O5S/c1-31-15-5-3-4-14(10-15)16-6-7-19-21-17(11-26(19)23(16)29)18(13-28)22(24(30)32-2)27(21)12-20-25-8-9-33-20/h3-10,17-18,21-22,28H,11-13H2,1-2H3/t17-,18-,21+,22-/m0/s1
InChIKey VROAXWWRWFQWDA-HXHBTQRASA-N
SMILES COC1=CC=CC(=C1)C2=CC=C3[C@H]4[C@@H](CN3C2=O)[C@@H]([C@H](N4CC5=NC=CS5)C(=O)OC)CO
ChEBI Ontology
Outgoing (2S,3S,3aR,9bR)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester (CHEBI:102483) is a α-amino acid ester (CHEBI:46874)
Manual Xref Database
LSM-13833 LINCS
View more database links