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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:55473 - ampicilloyl-butylamine
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ChEBI Name
ampicilloyl-butylamine
ChEBI ID
CHEBI:55473
Definition
An amide formed between ampicillin and butylamine.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H30N4O4S
Net Charge
0
Average Mass
422.54200
Monoisotopic Mass
422.19878
InChI
InChI=1S/C20H30N4O4S/c1-
4-
5-
11-
22-
17(26)
14(18-
24-
15(19(27)
28)
20(2,3)
29-
18)
23-
16(25)
13(21)
12-
9-
7-
6-
8-
10-
12/h6-
10,13-
15,18,24H,4-
5,11,21H2,1-
3H3,(H,22,26)
(H,23,25)
(H,27,28)
/t13-
,14-
,15+,18-
/m1/s1
InChIKey
DEUIOQHUFBVJFK-ZXFNITATSA-N
SMILES
[H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)[C@H](N)c1ccccc1)C(=O)NCCCC
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
ampicilloyl-butylamine (
CHEBI:55473
)
has functional parent
ampicillin (
CHEBI:28971
)
ampicilloyl-butylamine (
CHEBI:55473
)
has part
ampicilloyl group (
CHEBI:53704
)
ampicilloyl-butylamine (
CHEBI:55473
)
is a
monocarboxylic acid amide (
CHEBI:29347
)
ampicilloyl-butylamine (
CHEBI:55473
)
is a
thiazolidinemonocarboxylic acid (
CHEBI:48875
)
IUPAC Name
(2
R
,4
S
)-
2-
[(1
R
)-
1-
{[(2
R
)-
2-
amino-
2-
phenylacetyl]amino}-
2-
(butylamino)-
2-
oxoethyl]-
5,5-
dimethyl-
1,3-
thiazolidine-
4-
carboxylic acid
Synonyms
Sources
Amp-BA
ChEBI
AMP-BA
ChEBI
AMP-butylamine
ChEBI
ampicilloyl butylamine
ChEBI
Citation
Type
Source
7716788
PubMed citation
Europe PMC
Last Modified
02 February 2010