Epicillin

CAS Registry Number®

26774-90-3

CAS Name

Epicillin

Molecular Formula

C16H21N3O4S

Molecular Mass

351.42

Cite this Page

Epicillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26774-90-3 (retrieved 2024-11-22) (CAS RN: 26774-90-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H21N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-4,7,9-11,14H,5-6,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1

InChIKey

InChIKey=RPBAFSBGYDKNRG-NJBDSQKTSA-N

SMILES

C(O)(=O)[C@@H]1N2[C@@]([C@H](NC([C@H](N)C=3CC=CCC3)=O)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(O)C1N2C(=O)C(NC(=O)C(N)C3=CCC=CC3)C2SC1(C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[2-amino-2-(1,4-cyclohexadien-1-yl)acetamido]-3,3-dimethyl-7-oxo-, D-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(amino-1,4-cyclohexadien-1-ylacetyl)amino]-3,3-dimethyl-7-oxo-, [2S-[2α,5α,6β(S*)]]-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-amino-1,4-cyclohexadien-1-ylacetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-
  • (2S,5R,6R)-6-[[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

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Deleted or Replaced CAS Registry Numbers

30508-59-9, 65785-90-2

CAS INSIGHTSTM
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