(5R,6S)-3-[[2-(Acetylamino)ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

CAS Registry Number®

63599-16-6

CAS Name

(5R,6S)-3-[[2-(Acetylamino)ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Molecular Formula

C13H18N2O5S

Molecular Mass

314.36

Cite this Page

(5R,6S)-3-[[2-(Acetylamino)ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63599-16-6 (retrieved 2024-11-24) (CAS RN: 63599-16-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H18N2O5S/c1-6(16)10-8-5-9(21-4-3-14-7(2)17)11(13(19)20)15(8)12(10)18/h6,8,10,16H,3-5H2,1-2H3,(H,14,17)(H,19,20)/t6-,8+,10+/m0/s1

InChIKey

InChIKey=VUDXUIMGYZQRKK-SKWCMTHISA-N

SMILES

C(O)(=O)C=1N2[C@@]([C@@]([C@H](C)O)(C2=O)[H])(CC1SCCNC(C)=O)[H]

Canonical SMILES

O=C(O)C1=C(SCCNC(=O)C)CC2N1C(=O)C2C(O)C

Other Names for this Substance

  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-(acetylamino)ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-, (5R,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-(acetylamino)ethyl]thio]-6-(1-hydroxyethyl)-7-oxo-, [5R-[5α,6α(S*)]]-
  • (5R,6S)-3-[[2-(Acetylamino)ethyl]thio]-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • Antibiotic 890A3
  • Antibiotic MM 22381

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