CAS 135949-60-9

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

Description:

N-[2-[[[(2S)-2-Amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]-L-phenylalanine phenylmethyl ester, with CAS number 135949-60-9, is a complex organic compound characterized by its unique structural features. It contains multiple functional groups, including an amino acid backbone, a dithioether linkage, and an ester moiety, which contribute to its biochemical properties. The presence of a phenylalanine residue suggests potential interactions with biological systems, particularly in protein synthesis or as a peptide mimic. The methylthio group may enhance its lipophilicity, influencing its solubility and permeability in biological membranes. This compound is likely to exhibit specific stereochemistry due to the presence of chiral centers, which can affect its biological activity and interactions. Its intricate structure may also suggest potential applications in medicinal chemistry, particularly in drug design or as a biochemical probe. However, detailed studies would be necessary to fully elucidate its properties, reactivity, and potential therapeutic uses.

Formula: C₃₁H₃₈N₂O₃S₃

InChI: InChI=1/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

InChI key: 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

Synonyms:

• N-[2-[[[(2S)-2-Amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]-L-phenylalanine phenylmethyl ester
• benzyl N-(3-{[(2S)-2-amino-4-(methylsulfanyl)butyl]disulfanyl}-2-benzylpropanoyl)-L-phenylalaninate
• N-(2-Benzyl-3-((2-amino-4-methylthio)butyl dithio)-1-oxopropyl)phenylalanine benzyl ester
• L-Phenylalanine, N-[2-[[[(2S)-2-amino-4-(methylthio)butyl]dithio]methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester
• L-Phenylalanine, N-(2-(((2-amino-4-(methylthio)butyl)dithio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester
• RB-101
• RB101 base

RB 101

CAS: 135949-60-9

RB 101 suppresses enkephalinase and aminopeptidases; biologically cleaved at disulfide to produce inhibitors of both aminopeptidase N and neutral endopeptidase.

Formula: C₃₁H₃₈N₂O₃S₃

Purity: 98%

Color and Shape: Solid

Molecular weight: 582.84

Ref: TM-T26048