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ChEBI
> Main
CHEBI:135771 - temocapril
Main
ChEBI Ontology
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ChEBI Name
temocapril
ChEBI ID
CHEBI:135771
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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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 (Br
o
nsted 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