3,3-Dimethyl-6-(octanoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS

525-97-3

Catalog Number

ACM525973

Category

Other Products

Molecular Weight

342.454 g/mol

Molecular Formula

C₁₆H₂₆N₂O₄S

MSDS COA Spec Sheet

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Specification

Synonyms

Heptylpenicillin, Penicillin A, Penicillin K, Penicillin IV, Octanoylpenicillin, CID94167, LS-149813, 3,3-Dimethyl-6-octanamido-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-octanamido-7-oxo-, 525-97-3

IUPAC Name

3,3-dimethyl-6-(octanoylamino)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Canonical SMILES

CCCCCCCC(=O)NC1C2N(C1=O)C(C(S2)(C)C)C(=O)O

InChI Key

XVASOOUVMJAZNJ-UHFFFAOYSA-N

Exact Mass

342.16100

H-Bond Acceptor

H-Bond Donor