CHEBI:213022 - Dysideaproline B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Dysideaproline B
ChEBI ID CHEBI:213022
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H29Cl4N3O2S
Net Charge 0
Average Mass 517.330
Monoisotopic Mass 515.07346
InChI InChI=1S/C20H29Cl4N3O2S/c1-11-7-14(19-25-5-6-30-19)27(10-11)20(29)15(8-12(2)17(21)22)26(4)16(28)9-13(3)18(23)24/h5-6,11-15,17-18H,7-10H2,1-4H3
InChIKey HDSPSTLDRVPLIV-UHFFFAOYSA-N
SMILES ClC(Cl)C(CC(=O)N(C(C(=O)N1C(C=2SC=CN2)CC(C1)C)CC(C(Cl)Cl)C)C)C
ChEBI Ontology
Outgoing Dysideaproline B (CHEBI:213022) has functional parent α-amino acid (CHEBI:33704)
Dysideaproline B (CHEBI:213022) is a organonitrogen compound (CHEBI:35352)
Dysideaproline B (CHEBI:213022) is a organooxygen compound (CHEBI:36963)
IUPAC Name
4,4-dichloro-N-[5,5-dichloro-4-methyl-1-[4-methyl-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]-1-oxopentan-2-yl]-N,3-dimethylbutanamide
Manual Xref Database
9050259 ChemSpider
View more database links