CHEBI:31513 - Docarpamine

ChEBI IDCHEBI:31513
ChEBI NameDocarpamine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC21H30N2O8S
Net Charge0
Average Mass470.544
Monoisotopic Mass470.17229
SMILESCCOC(=O)Oc1ccc(CCNC(=O)[C@H](CCSC)NC(C)=O)cc1OC(=O)OCC
InChIInChI=1S/C21H30N2O8S/c1-5-28-20(26)30-17-8-7-15(13-18(17)31-21(27)29-6-2)9-11-22-19(25)16(10-12-32-4)23-14(3)24/h7-8,13,16H,5-6,9-12H2,1-4H3,(H,22,25)(H,23,24)/t16-/m0/s1
InChIKeyZLVMAMIPILWYHQ-INIZCTEOSA-N
ChEBI Ontology
Outgoing Relation(s)
Docarpamine (CHEBI:31513) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
DocarpamineKEGG COMPOUND
tanadopaDrugCentral
Manual XrefsDatabases
938DrugCentral
D01903KEGG DRUG
Registry NumbersSources
CAS:74639-40-0KEGG COMPOUND