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ChEBI
> Main
CHEBI:60967 - Ac-Cha-Arg-Disc-Met-NH
2
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ChEBI Ontology
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ChEBI Name
Ac-Cha-Arg-Disc-Met-NH
2
ChEBI ID
CHEBI:60967
ChEBI ASCII Name
Ac-Cha-Arg-Disc-Met-NH2
Definition
A synthetic tetrapeptide comprising Ac-Cha, Arg, Disc and Met-NH
2
residues coupled in sequence.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C31H48N8O5S
Net Charge
0
Average Mass
644.82800
Monoisotopic Mass
644.34684
InChI
InChI=1S/C31H48N8O5S/c1-
19(40)
36-
25(17-
20-
9-
4-
3-
5-
10-
20)
28(42)
38-
24(13-
8-
15-
35-
31(33)
34)
30(44)
39-
18-
21-
11-
6-
7-
12-
22(21)
26(39)
29(43)
37-
23(27(32)
41)
14-
16-
45-
2/h6-
7,11-
12,20,23-
26H,3-
5,8-
10,13-
18H2,1-
2H3,(H2,32,41)
(H,36,40)
(H,37,43)
(H,38,42)
(H4,33,34,35)
/t23-
,24-
,25-
,26-
/m0/s1
InChIKey
UCSIGHLEKGDKEA-CQJMVLFOSA-N
SMILES
CSCC[C@H](NC(=O)[C@H]1N(Cc2ccccc12)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(N)=O
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
Ac-Cha-Arg-Disc-Met-NH
2
(
CHEBI:60967
)
is a
tetrapeptide (
CHEBI:48030
)
IUPAC Name
(1
S
)-
2-
(
N
-
acetyl-
3-
cyclohexyl-
L
-
alanyl-
L
-
arginyl)-
N
-
[(2
S
)-
1-
amino-
4-
(methylsulfanyl)-
1-
oxobutan-
2-
yl]isoindoline-
1-
carboxamide
Synonyms
Sources
Ac-(Cha)R(Disc)M-NH
2
ChEBI
AcChaArgDiscMetNH2
ChEBI
Citation
Type
Source
17081730
PubMed citation
Europe PMC
Last Modified
14 January 2011