Bacmecillinam

CAS Registry Number®

50846-45-2

CAS Name

Bacmecillinam

Molecular Formula

C20H31N3O6S

Molecular Mass

441.54

Cite this Page

Bacmecillinam.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50846-45-2 (retrieved 2024-11-22) (CAS RN: 50846-45-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H31N3O6S/c1-5-27-19(26)29-13(2)28-18(25)15-20(3,4)30-17-14(16(24)23(15)17)21-12-22-10-8-6-7-9-11-22/h12-15,17H,5-11H2,1-4H3/t13?,14-,15+,17-/m1/s1

InChIKey

InChIKey=XHKFBADIZIDYBU-UCMJJCQDSA-N

SMILES

C(OC(OC(OCC)=O)C)(=O)[C@@H]1N2[C@@]([C@H](N=CN3CCCCCC3)C2=O)(SC1(C)C)[H]

Canonical SMILES

O=C(OCC)OC(OC(=O)C1N2C(=O)C(N=CN3CCCCCC3)C2SC1(C)C)C

Other Names for this Substance

  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, (2S,5R,6R)-
  • 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(hexahydro-1H-azepin-1-yl)methylene]amino]-3,3-dimethyl-7-oxo-, 1-[(ethoxycarbonyl)oxy]ethyl ester, [2S-(2α,5α,6β)]-
  • Bacmecillinam
  • KW 1100

CAS INSIGHTSTM
Targeted protein degrader structure, illustration