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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135690 - fenbenicillin
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ChEBI Ontology
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ChEBI Name
fenbenicillin
ChEBI ID
CHEBI:135690
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C22H22N2O5S
Net Charge
0
Average Mass
426.487
Monoisotopic Mass
426.12494
InChI
InChI=1S/C22H22N2O5S/c1-
22(2)
17(21(27)
28)
24-
19(26)
15(20(24)
30-
22)
23-
18(25)
16(13-
9-
5-
3-
6-
10-
13)
29-
14-
11-
7-
4-
8-
12-
14/h3-
12,15-
17,20H,1-
2H3,(H,23,25)
(H,27,28)
/t15-
,16?,17+,20-
/m1/s1
InChIKey
VZPPEUOYDWPUKO-MQWDNKACSA-N
SMILES
N(C(C(OC1=CC=CC=C1)C2=CC=CC=C2)=O)[C@H]3[C@@]4(N(C3=O)[C@H](C(S4)(C)C)C(O)=O)[H]
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
fenbenicillin (
CHEBI:135690
)
is a
dipeptide (
CHEBI:46761
)
Synonyms
Sources
fenbenicillin potassium salt
DrugCentral
penspek
DrugCentral
phenbenicillin
DrugCentral
Manual Xref
Database
3221
DrugCentral
View more database links
Registry Number
Type
Source
1177-30-6
CAS Registry Number
DrugCentral
Last Modified
23 February 2017