CHEBI:135690 - fenbenicillin

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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 (Bronsted 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