CHEBI:8803 - Remikiren

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ChEBI Name Remikiren
ChEBI ID CHEBI:8803
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H50N4O6S
Net Charge 0
Average Mass 630.841
Monoisotopic Mass 630.34511
InChI InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29-,30+/m1/s1
InChIKey UXIGZRQVLGFTOU-JOFXVPDFSA-N
SMILES CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@H](O)[C@H](O)C1CC1
Roles Classification
Chemical Role(s): 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 Remikiren (CHEBI:8803) is a N-acyl-amino acid (CHEBI:51569)
Synonyms Sources
Remikiren KEGG COMPOUND
Ro 42-5892 KEGG COMPOUND
Ro-42-5892 DrugCentral
Manual Xrefs Databases
4696 DrugCentral
C07465 KEGG COMPOUND
D09038 KEGG DRUG
View more database links
Registry Number Type Source
126222-34-2 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017