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ChEBI
> Main
CHEBI:101333 - GGTI-2133 free base(1+)
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ChEBI Name
GGTI-2133 free base(1+)
ChEBI ID
CHEBI:101333
Definition
An organic cation obtained by protonation of GGTI-2133 free base.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
No supplier information found for this compound.
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Formula
C27H29N4O3
Net Charge
+1
Average Mass
457.545
Monoisotopic Mass
457.22342
InChI
InChI=1S/C27H28N4O3/c1-
17(2)
12-
25(27(33)
34)
31-
26(32)
23-
11-
10-
19(29-
15-
20-
14-
28-
16-
30-
20)
13-
24(23)
22-
9-
5-
7-
18-
6-
3-
4-
8-
21(18)
22/h3-
11,13-
14,16-
17,25,29H,12,15H2,1-
2H3,(H,28,30)
(H,31,32)
(H,33,34)
/p+1/t25-
/m0/s1
InChIKey
ODTFPKNIFYMEHP-VWLOTQADSA-O
SMILES
C([C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)[NH2+]CC=2NC=NC2)C=3C4=C(C=CC=C4)C=CC3)(O)=O
ChEBI Ontology
Outgoing
GGTI-2133 free base(1+) (
CHEBI:101333
)
is a
ammonium ion derivative (
CHEBI:35274
)
GGTI-2133 free base(1+) (
CHEBI:101333
)
is a
organic cation (
CHEBI:25697
)
GGTI-2133 free base(1+) (
CHEBI:101333
)
is conjugate acid of
GGTI-2133 free base (
CHEBI:101257
)
Incoming
GGTI-2133 (
CHEBI:101279
)
has part
GGTI-2133 free base(1+) (
CHEBI:101333
)
GGTI-2133 free base (
CHEBI:101257
)
is conjugate base of
GGTI-2133 free base(1+) (
CHEBI:101333
)
IUPAC Name
4-
{[(1
S
)-
1-
carboxy-
3-
methylbutyl]carbamoyl}-
N
-
[(1
H
-
imidazol-
4-
yl)methyl]-
3-
(naphthalen-
1-
yl)anilinium
Synonym
Source
GGTI-2133 free base cation
ChEBI
Last Modified
01 April 2016