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CHEBI:80005 - Kni 102

ChEBI IDCHEBI:80005
ChEBI NameKni 102
Stars
DownloadsMolfile
FormulaC31H41N5O7
Net Charge0
Average Mass595.697
Monoisotopic Mass595.30060
SMILESCC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1
InChIKeyXCVUOCMQYKSJJR-IGRGDXOOSA-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)
Kni 102 (CHEBI:80005) is a peptide (CHEBI:16670)
Manual XrefsDatabases
C15654KEGG COMPOUND
Registry NumbersSources
CAS:139694-65-8KEGG COMPOUND