CHEBI:135771 - temocapril

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name temocapril
ChEBI ID CHEBI:135771
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H28N2O5S2
Net Charge 0
Average Mass 476.612
Monoisotopic Mass 476.14396
InChI InChI=1S/C23H28N2O5S2/c1-2-30-23(29)17(11-10-16-7-4-3-5-8-16)24-18-15-32-20(19-9-6-12-31-19)13-25(22(18)28)14-21(26)27/h3-9,12,17-18,20,24H,2,10-11,13-15H2,1H3,(H,26,27)/t17-,18-,20-/m0/s1
InChIKey FIQOFIRCTOWDOW-BJLQDIEVSA-N
SMILES C(C(O)=O)N1C[C@H](SC[C@@H](C1=O)N[C@@H](CCC2=CC=CC=C2)C(OCC)=O)C3=CC=CS3
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing temocapril (CHEBI:135771) is a dipeptide (CHEBI:46761)
Synonyms Sources
CS-622 DrugCentral
temocapril HCl DrugCentral
temocapril hydrochloride DrugCentral
temocaprilat DrugCentral
Manual Xrefs Databases
2586 DrugCentral
HMDB0061720 HMDB
View more database links
Registry Number Type Source
111902-57-9 CAS Registry Number DrugCentral
Last Modified
23 February 2017