N-[2-[[[(2S)-2-Amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]-L-phenylalanine phenylmethyl ester

CAS Registry Number®

135949-60-9

CAS Name

N-[2-[[[(2S)-2-Amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]-L-phenylalanine phenylmethyl ester

Molecular Formula

C31H38N2O3S3

Molecular Mass

582.84

Cite this Page

N-[2-[[[(2S)-2-Amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]-L-phenylalanine phenylmethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135949-60-9 (retrieved 2024-11-22) (CAS RN: 135949-60-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H38N2O3S3/c1-37-18-17-28(32)23-39-38-22-27(19-24-11-5-2-6-12-24)30(34)33-29(20-25-13-7-3-8-14-25)31(35)36-21-26-15-9-4-10-16-26/h2-16,27-29H,17-23,32H2,1H3,(H,33,34)/t27?,28-,29-/m0/s1

InChIKey

InChIKey=QXXMSEVVNUSHKJ-KEKPXRHTSA-N

SMILES

[C@@H](CC1=CC=CC=C1)(NC(C(CC2=CC=CC=C2)CSSC[C@H](CCSC)N)=O)C(OCC3=CC=CC=C3)=O

Canonical SMILES

O=C(OCC=1C=CC=CC1)C(NC(=O)C(CSSCC(N)CCSC)CC=2C=CC=CC2)CC=3C=CC=CC3

Other Names for this Substance

  • L-Phenylalanine, N-[2-[[[(2S)-2-amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester
  • N-[2-[[[(2S)-2-Amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]-L-phenylalanine phenylmethyl ester
  • RB101 base

Deleted or Replaced CAS Registry Numbers

203498-61-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration