Marvin  01261111162D          

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  1  3  1  0  0  0  0
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M  END
> <ID>
CHEBI:27446

> <NAME>
phenoxymethylpenicillin

> <DEFINITION>
A penicillin compound having a 6β-(phenoxyacetyl)amino side-chain.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44947; CHEBI:7966; CHEBI:25868

> <SYNONYM>
PV; phenoxymethylenepenicillinic acid; phenoxomethylpenicillin; Penicillin V; penicillin phenoxymethyl; Oracillin; 6-phenoxyacetamidopenicillanic acid; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

> <IUPAC_NAME>
3,3-dimethyl-6beta-[(phenoxyacetyl)amino]penam-2alpha-carboxylic acid (PIN); 2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carboxylic acid

> <INN>
phenoxymethylpenicillinum; phenoxymethylpenicilline; phenoxymethylpenicillin; fenoximetilpenicilina

> <BRAND_NAME>
V-Cillin; Fenospen

> <FORMULA>
C16H18N2O5S

> <MASS>
350.39000

> <MONOISOTOPIC_MASS>
350.09364

> <CHARGE>
0

> <SMILES>
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)COc1ccccc1)C(O)=O

> <INCHI>
InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1

> <INCHIKEY>
BPLBGHOLXOTWMN-MBNYWOFBSA-N

> <CAS_REGISTRY_NUMBER>
87-08-1

> <REAXYS_REGISTRY_NUMBER>
96259

> <CHEMIDPLUS>
87-08-1

> <DRUGBANK_ACCESSION>
DB00417

> <KEGG_COMPOUND_ACCESSION>
C08126

> <KEGG_DRUG_ACCESSION>
D05411

> <PDBECHEM_ACCESSION>
PNV

> <WIKIPEDIA_ACCESSION>
Phenoxymethylpenicillin

> <PUBMED_CITATION>
10930630; 12569987; 13377278; 14687482; 16033609; 19357666; 19496253; 21148688; 22763423; 23732051; 26986755; 27731424; 8566082

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