(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
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CAS Name
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(1-oxooctyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acidMolecular Formula
C16H26N2O4SMolecular Mass
342.45Cite 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?ref=525-97-3 (retrieved ) (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
