EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:80006 - Kynostatin 272

ChEBI IDCHEBI:80006
ChEBI NameKynostatin 272
Stars
DownloadsMolfile
FormulaC33H41N5O6S2
Net Charge0
Average Mass667.854
Monoisotopic Mass667.24983
SMILESCSC[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C33H41N5O6S2/c1-33(2,3)37-31(42)26-19-46-20-38(26)32(43)29(40)24(15-21-9-6-5-7-10-21)36-30(41)25(18-45-4)35-28(39)17-44-27-12-8-11-22-16-34-14-13-23(22)27/h5-14,16,24-26,29,40H,15,17-20H2,1-4H3,(H,35,39)(H,36,41)(H,37,42)/t24-,25-,26-,29-/m0/s1
InChIKeyNJBBLOIWMSYVCQ-VZTVMPNDSA-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)
Kynostatin 272 (CHEBI:80006) is a peptide (CHEBI:16670)
Synonym  Source
KNI-272KEGG COMPOUND
Manual XrefsDatabases
C15655KEGG COMPOUND
Registry NumbersSources
CAS:147318-81-8KEGG COMPOUND