(4-Nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CAS Registry Number®

53994-83-5

CAS Name

(4-Nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Molecular Formula

C14H12ClN3O5S

Molecular Mass

369.78

Cite this Page

(4-Nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53994-83-5 (retrieved 2024-11-22) (CAS RN: 53994-83-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H12ClN3O5S/c15-9-6-24-13-10(16)12(19)17(13)11(9)14(20)23-5-7-1-3-8(4-2-7)18(21)22/h1-4,10,13H,5-6,16H2/t10-,13-/m1/s1

InChIKey

InChIKey=YLIOIMWNSIRKDG-ZWNOBZJWSA-N

SMILES

C(OCC1=CC=C(N(=O)=O)C=C1)(=O)C=2N3[C@@]([C@H](N)C3=O)(SCC2Cl)[H]

Canonical SMILES

O=C(OCC1=CC=C(C=C1)N(=O)=O)C2=C(Cl)CSC3N2C(=O)C3N

Other Names for this Substance

  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (4-nitrophenyl)methyl ester, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-chloro-8-oxo-, (4-nitrophenyl)methyl ester, (6R-trans)-
  • (4-Nitrophenyl)methyl (6R,7R)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • p-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate
  • 4-Nitrobenzyl 7-amino-3-chloro-3-cephem-4-carboxylate

CAS INSIGHTSTM
Targeted protein degrader structure, illustration