Gomphrenin II

CAS Registry Number®

143022-02-0

CAS Name

Gomphrenin II

Molecular Formula

C33H32N2O15

Molecular Mass

696.61

Cite this Page

Gomphrenin II.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=143022-02-0 (retrieved 2024-11-22) (CAS RN: 143022-02-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H32N2O15/c36-18-4-1-15(2-5-18)3-6-26(38)48-14-25-27(39)28(40)29(41)33(50-25)49-24-13-21-17(12-23(24)37)11-22(32(46)47)35(21)8-7-16-9-19(30(42)43)34-20(10-16)31(44)45/h1-9,12-13,20,22,25,27-29,33,36-37,39-41H,10-11,14H2,(H,42,43)(H,44,45)(H,46,47)

InChIKey

InChIKey=YGLDJHLOOPYMED-UHFFFAOYSA-N

SMILES

C(=CC=1CC(C(O)=O)N=C(C(O)=O)C1)N2C=3C(CC2C(O)=O)=CC(O)=C(OC4OC(COC(C=CC5=CC=C(O)C=C5)=O)C(O)C(O)C4O)C3

Canonical SMILES

O=C(O)C1=NC(C(=O)O)CC(C=CN2C3=CC(OC4OC(COC(=O)C=CC5=CC=C(O)C=C5)C(O)C(O)C4O)=C(O)C=C3CC2C(=O)O)=C1

Other Names for this Substance

  • 2,6-Pyridinedicarboxylic acid, 4-[2-[(2S)-2-carboxy-2,3-dihydro-5-hydroxy-6-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1H-indol-1-yl]ethenyl]-2,3-dihydro-, (2S)-
  • 2,6-Pyridinedicarboxylic acid, 4-[2-[2-carboxy-2,3-dihydro-5-hydroxy-6-[[6-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-1H-indol-1-yl]ethenyl]-2,3-dihydro-, [S-[R*,R*-(?,E)]]-
  • 2,6-Pyridinedicarboxylic acid, 4-[2-[(2S)-2-carboxy-2,3-dihydro-5-hydroxy-6-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyl]oxy]-1H-indol-1-yl]ethenyl]-2,3-dihydro-, (2S)-
  • (2S)-4-[2-[(2S)-2-Carboxy-2,3-dihydro-5-hydroxy-6-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-1H-indol-1-yl]ethenyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid
  • Gomphrenin II

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration