CHEBI:80006 - Kynostatin 272

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ChEBI Name Kynostatin 272
ChEBI ID CHEBI:80006
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H41N5O6S2
Net Charge 0
Average Mass 667.83900
Monoisotopic Mass 667.24983
InChI InChI=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
InChIKey NJBBLOIWMSYVCQ-VZTVMPNDSA-N
SMILES CSC[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
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 Kynostatin 272 (CHEBI:80006) is a peptide (CHEBI:16670)
Synonym Source
KNI-272 KEGG COMPOUND
Manual Xref Database
C15655 KEGG COMPOUND
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Registry Number Type Source
147318-81-8 CAS Registry Number KEGG COMPOUND