CHEBI:230038 - Azetirelin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Azetirelin
ChEBI ID CHEBI:230038
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H20N6O4
Net Charge 0
Average Mass 348.363
Monoisotopic Mass 348.15460
InChI InChI=1S/C15H20N6O4/c16-13(23)11-2-1-3-21(11)15(25)10(4-8-6-17-7-18-8)20-14(24)9-5-12(22)19-9/h6-7,9-11H,1-5H2,(H2,16,23)(H,17,18)(H,19,22)(H,20,24)/t9-,10-,11-/m0/s1
InChIKey WBGUMUGCONUXFK-DCAQKATOSA-N
SMILES O=C(N1[C@@H](CCC1)C(=O)N)[C@@H](NC(=O)[C@H]2NC(=O)C2)CC=3NC=NC3
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Azetirelin (CHEBI:230038) is a histidine derivative (CHEBI:24599)
IUPAC Name
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-4-oxoazetidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
Manual Xref Database
59253 ChemSpider
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