(βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid

CAS Registry Number®

219967-69-8

CAS Name

(βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid

Molecular Formula

C29H31NO5

Molecular Mass

473.56

Cite this Page

(βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=219967-69-8 (retrieved 2024-11-21) (CAS RN: 219967-69-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    105-110 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C29H31NO5/c1-29(2,3)35-21-14-12-19(13-15-21)16-20(17-27(31)32)30-28(33)34-18-26-24-10-6-4-8-22(24)23-9-5-7-11-25(23)26/h4-15,20,26H,16-18H2,1-3H3,(H,30,33)(H,31,32)/t20-/m0/s1

InChIKey

InChIKey=PAFSELQEYJTCCG-FQEVSTJZSA-N

SMILES

C(OC(N[C@@H](CC1=CC=C(OC(C)(C)C)C=C1)CC(O)=O)=O)C2C=3C(C=4C2=CC=CC4)=CC=CC3

Canonical SMILES

O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(CC(=O)O)CC4=CC=C(OC(C)(C)C)C=C4

Other Names for this Substance

  • Benzenebutanoic acid, 4-(1,1-dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (βS)-
  • (βS)-4-(1,1-Dimethylethoxy)-β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid
  • (3S)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration