13-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]-14-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-14-thioxo-4,7,10-trioxa-13-azatetradecanoic acid

CAS Registry Number®

2100306-50-9

CAS Name

13-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]-14-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-14-thioxo-4,7,10-trioxa-13-azatetradecanoic acid

Molecular Formula

C38H45N5O13S

Cite this Page

13-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]-14-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-14-thioxo-4,7,10-trioxa-13-azatetradecanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2100306-50-9 (retrieved 2024-11-22) (CAS RN: 2100306-50-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C38H45N5O13S/c39-42-40-8-12-50-16-20-54-22-18-52-14-10-43(9-13-51-17-21-53-19-15-49-11-7-35(46)47)37(57)41-26-1-4-30-29(23-26)36(48)56-38(30)31-5-2-27(44)24-33(31)55-34-25-28(45)3-6-32(34)38/h1-6,23-25,44-45H,7-22H2,(H,41,57)(H,46,47)

InChIKey

InChIKey=VGMWZPOXYYJXCA-UHFFFAOYSA-N

SMILES

O=C1OC2(C=3C1=CC(NC(N(CCOCCOCCOCCC(O)=O)CCOCCOCCOCCN=[N+]=[N-])=S)=CC3)C=4C(OC=5C2=CC=C(O)C5)=CC(O)=CC4

Canonical SMILES

[N-]=[N+]=NCCOCCOCCOCCN(C(=S)NC1=CC=C2C(=C1)C(=O)OC32C4=CC=C(O)C=C4OC5=CC(O)=CC=C53)CCOCCOCCOCCC(=O)O

Other Names for this Substance

  • 4,7,10-Trioxa-13-azatetradecanoic acid, 13-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-14-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-14-thioxo-
  • 13-[2-[2-[2-(2-Azidoethoxy)ethoxy]ethoxy]ethyl]-14-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-14-thioxo-4,7,10-trioxa-13-azatetradecanoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration