(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(1-oxooctyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS Registry Number®

525-97-3

CAS Name

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(1-oxooctyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Molecular Formula

C16H26N2O4S

Molecular Mass

342.45

Cite this Page

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(1-oxooctyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=525-97-3 (retrieved 2024-11-25) (CAS RN: 525-97-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1

InChIKey

InChIKey=XVASOOUVMJAZNJ-MBNYWOFBSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC(CCCCCCC)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(NC1C(=O)N2C1SC(C)(C)C2C(=O)O)CCCCCCC

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxooctyl)amino]-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-octanamido-7-oxo-
  • Penicillin K
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(1-oxooctyl)amino]-, [2S-(2α,5α,6β)]-
  • (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(1-oxooctyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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