149759-96-6
Product Name:
B581
Formula:
C22H38N4O3S2
Synonyms:
N-[2(S)-(2(R)-2-Amino-3-mercaptopropylamino)-3-methylbutyl]-L -phenylalanyl-L -methionine trifluoroacetate salt
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 470.7 g/mol |
|---|---|
| XLogP3 | -0.1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 16 |
| Exact Mass | 470.23853343 g/mol |
| Monoisotopic Mass | 470.23853343 g/mol |
| Topological Polar Surface Area | 143 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 519 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
B 581 is a dipeptide obtained from the tetrapeptide Cys-Val-Phe-Met by reduction of the amide carbonyl groups of the Cys and Val residues. It has a role as a peptidomimetic and an EC 2.5.1.58 (protein farnesyltransferase) inhibitor.