N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-β-alanine methyl ester

CAS Registry Number®

67905-16-2

CAS Name

N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-β-alanine methyl ester

Molecular Formula

C23H25BrN6O10

Molecular Mass

625.38

Cite this Page

N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-β-alanine methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67905-16-2 (retrieved 2024-11-22) (CAS RN: 67905-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H25BrN6O10/c1-13(31)25-17-11-19(28(6-5-22(33)39-4)7-8-40-14(2)32)21(38-3)12-18(17)26-27-23-16(24)9-15(29(34)35)10-20(23)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)

InChIKey

InChIKey=YEPMXIKNGPVWRP-UHFFFAOYSA-N

SMILES

N(CCC(OC)=O)(CCOC(C)=O)C1=C(OC)C=C(N=NC2=C(N(=O)=O)C=C(N(=O)=O)C=C2Br)C(NC(C)=O)=C1

Canonical SMILES

O=C(OCCN(C1=CC(NC(=O)C)=C(N=NC2=C(Br)C=C(C=C2N(=O)=O)N(=O)=O)C=C1OC)CCC(=O)OC)C

Other Names for this Substance

  • β-Alanine, N-[5-(acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-, methyl ester
  • β-Alanine, N-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-, methyl ester
  • N-[5-(Acetylamino)-4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-2-methoxyphenyl]-N-[2-(acetyloxy)ethyl]-β-alanine methyl ester

CAS INSIGHTSTM
Targeted protein degrader structure, illustration