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CHEBI:2965 - BQ 123

Default Structure
ChEBI IDCHEBI:2965
ChEBI NameBQ 123
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H42N6O7
Net Charge0
Average Mass610.712
Monoisotopic Mass610.31150
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2cnc3ccccc23)NC1=O
InChIInChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
InChIKeyVYCMAAOURFJIHD-PJNXIOHISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
ChEBI Ontology
Outgoing Relation(s)
BQ 123 (CHEBI:2965) has role antihypertensive agent (CHEBI:35674)
BQ 123 (CHEBI:2965) has role cardiovascular drug (CHEBI:35554)
BQ 123 (CHEBI:2965) is a cyclic peptide (CHEBI:23449)
Synonyms  Source
bq-123ChEMBL
Bq-123ChEMBL
BQ 123KEGG COMPOUND
BQ123ChEMBL
Cyclo[D-trp-D-asp-L-pro-D-val-L-leu]KEGG COMPOUND
Cyclo(d-trp-d-asp-pro-d-val-leu)ChEMBL
Manual XrefsDatabases
C11587KEGG COMPOUND
Registry NumbersSources
CAS:136553-81-6KEGG COMPOUND
Citations