CHEBI:2965 - BQ 123

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ChEBI Name BQ 123
ChEBI ID CHEBI:2965
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H42N6O7
Net Charge 0
Average Mass 610.702
Monoisotopic Mass 610.31150
InChI InChI=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
InChIKey VYCMAAOURFJIHD-PJNXIOHISA-N
SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing BQ 123 (CHEBI:2965) is a cyclic peptide (CHEBI:23449)
Synonyms Sources
BQ 123 KEGG COMPOUND
Cyclo[D-trp-D-asp-L-pro-D-val-L-leu] KEGG COMPOUND
Manual Xref Database
C11587 KEGG COMPOUND
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Registry Number Type Source
136553-81-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014