CHEBI:80005 - Kni 102

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ChEBI Name Kni 102
ChEBI ID CHEBI:80005
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H41N5O7
Net Charge 0
Average Mass 595.68650
Monoisotopic Mass 595.30060
InChI InChI=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
InChIKey XCVUOCMQYKSJJR-IGRGDXOOSA-N
SMILES CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
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 Kni 102 (CHEBI:80005) is a peptide (CHEBI:16670)
Manual Xref Database
C15654 KEGG COMPOUND
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Registry Number Type Source
139694-65-8 CAS Registry Number KEGG COMPOUND