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CHEBI:182429 - Methyl (9R,12R,21S)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.01,9.02,7.09,21.012,16]docosa-2,4,6,13-tetraene-8-carboxylate

ChEBI IDCHEBI:182429
ChEBI NameMethyl (9R,12R,21S)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.01,9.02,7.09,21.012,16]docosa-2,4,6,13-tetraene-8-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20N2O5
Net Charge0
Average Mass380.400
Monoisotopic Mass380.13722
SMILES[H][C@@]12C[C@]34C=CC(=O)N3CCC3(OC1=O)c1ccccc1N(C(=O)OC)[C@@]32CC4
InChIInChI=1S/C21H20N2O5/c1-27-18(26)23-15-5-3-2-4-13(15)21-10-11-22-16(24)6-7-19(22)8-9-20(21,23)14(12-19)17(25)28-21/h2-7,14H,8-12H2,1H3/t14-,19-,20-,21?/m1/s1
InChIKeySTACHDUHGOCYFP-XCKWHVFBSA-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 (9R,12R,21S)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.01,9.02,7.09,21.012,16]docosa-2,4,6,13-tetraene-8-carboxylate (CHEBI:182429) is a indolyl carboxylic acid (CHEBI:46867)
IUPAC Name 
methyl (9R,12R,21S)-15,20-dioxo-19-oxa-8,16-diazahexacyclo[10.6.4.01,9.02,7.09,21.012,16]docosa-2,4,6,13-tetraene-8-carboxylate