CHEBI:9436 - Temocaprilat

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ChEBI Name Temocaprilat
ChEBI ID CHEBI:9436
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H24N2O5S2
Net Charge 0
Average Mass 448.559
Monoisotopic Mass 448.11266
InChI InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1
InChIKey KZVWEOXAPZXAFB-BQFCYCMXSA-N
SMILES OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1cccs1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Temocaprilat (CHEBI:9436) is a non-proteinogenic α-amino acid (CHEBI:83925)
Synonyms Sources
RS 5139 KEGG COMPOUND
Temocaprilat KEGG COMPOUND
Manual Xrefs Databases
C11373 KEGG COMPOUND
HMDB0061721 HMDB
View more database links
Registry Number Type Source
110221-53-9 CAS Registry Number KEGG COMPOUND
Last Modified
26 March 2015