1-[[4-[[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methyl] hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate

CAS Registry Number®

172611-77-7

CAS Name

1-[[4-[[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methyl] hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate

Molecular Formula

C39H42N2O8

Molecular Mass

666.76

Cite this Page

1-[[4-[[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methyl] hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=172611-77-7 (retrieved 2024-11-22) (CAS RN: 172611-77-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H42N2O8/c1-23(2)17-31(36-33(42)19-39(3,4)20-34(36)43)40-25-15-13-24(14-16-25)21-48-37(46)32(18-35(44)45)41-38(47)49-22-30-28-11-7-5-9-26(28)27-10-6-8-12-29(27)30/h5-16,23,30,32,40H,17-22H2,1-4H3,(H,41,47)(H,44,45)/t32-/m0/s1

InChIKey

InChIKey=QPTKEHUFSCXXEH-YTTGMZPUSA-N

SMILES

C(OC(N[C@H](C(OCC1=CC=C(NC(CC(C)C)=C2C(=O)CC(C)(C)CC2=O)C=C1)=O)CC(O)=O)=O)C3C=4C(C=5C3=CC=CC5)=CC=CC4

Canonical SMILES

O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)OCC4=CC=C(C=C4)NC(=C5C(=O)CC(C)(C)CC5=O)CC(C)C)CC(=O)O

Other Names for this Substance

  • L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-[[4-[[1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methyl] ester
  • 1-[[4-[[1-(4,4-Dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl]amino]phenyl]methyl] hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate
  • (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-((4-((1-(4,4-dimethyl-2,6-dioxocyclohexylidene)-3-methylbutyl)amino)benzyl)oxy)-4-oxobutanoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration