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CHEBI:2966 - BQ 485

ChEBI IDCHEBI:2966
ChEBI NameBQ 485
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC35H44N6O5
Net Charge0
Average Mass628.774
Monoisotopic Mass628.33732
SMILESCC(C)C[C@H](NC(=O)N1CCCCCC1)C(=O)N[C@H](Cc1cnc2ccccc12)C(=O)N[C@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C35H44N6O5/c1-22(2)17-29(40-35(46)41-15-9-3-4-10-16-41)32(42)38-30(18-23-20-36-27-13-7-5-11-25(23)27)33(43)39-31(34(44)45)19-24-21-37-28-14-8-6-12-26(24)28/h5-8,11-14,20-22,29-31,36-37H,3-4,9-10,15-19H2,1-2H3,(H,38,42)(H,39,43)(H,40,46)(H,44,45)/t29-,30+,31+/m0/s1
InChIKeyZBJNAHVLKNFOPP-OJDZSJEKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
BQ 485 (CHEBI:2966) is a peptide (CHEBI:16670)
Synonyms  Source
BQ 485KEGG COMPOUND
Perhydroazepino-N-carbonyl-L-Leu-D-Trp-D-TrpKEGG COMPOUND
Manual XrefsDatabases
C11362KEGG COMPOUND
Registry NumbersSources
CAS:141594-26-5KEGG COMPOUND