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ChEBI
> Main
CHEBI:80006 - Kynostatin 272
Main
ChEBI Ontology
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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 (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Kynostatin 272 (
CHEBI:80006
)
is a
peptide (
CHEBI:16670
)
Synonym
Source
KNI-272
KEGG COMPOUND
Manual Xref
Database
C15655
KEGG COMPOUND
View more database links
Registry Number
Type
Source
147318-81-8
CAS Registry Number
KEGG COMPOUND