Phe-Pro dipeptide isostere
TL;DR: Phe-Pro dipeptide isostere (CAS 148314-61-8) is a chemical compound with molecular formula C35H39N5O5 and molecular weight 609.2951 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
Also Known As: Phe-Pro dipeptide isostere, LY 289612, (2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide, N^1-(3-(2-(((1,1-Dimethylethyl)amino)carbonyl)phenyl)-2(R)-hydroxy-1(S)-(phenylmethyl)propyl)-2(S)-((2-quinolinylcarbonyl)amino)butanediamide, (2S)-N-[(1S,2R)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide
Technical Specifications
| Molecular Formula | C35H39N5O5 |
| Molecular Weight | 609.2951 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 609.2951 Da |
| Heavy Atoms | 45 |
| Complexity | 1010.0 |
| SMILES | CC(C)(C)NC(=O)C1=CC=CC=C1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3)O |
| InChIKey | RHADMHOBZRGRTJ-OIFRRMEBSA-N |
Chemical Property Profile of Phe-Pro dipeptide isostere
Property Insights of Phe-Pro dipeptide isostere
The XLogP value of 3.7 indicates that Phe-Pro dipeptide isostere is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting Phe-Pro dipeptide isostere may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phe-Pro dipeptide isostere has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Phe-Pro dipeptide isostere?
The CAS number of Phe-Pro dipeptide isostere is 148314-61-8.
What is the molecular formula of Phe-Pro dipeptide isostere?
The molecular formula of Phe-Pro dipeptide isostere is C35H39N5O5.
What is the molecular weight of Phe-Pro dipeptide isostere?
The molecular weight of Phe-Pro dipeptide isostere is 609.2951 g/mol.
Where can I buy Phe-Pro dipeptide isostere?
You can request a quote for Phe-Pro dipeptide isostere directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phe-Pro dipeptide isostere?
Yes, CoreyChem provides custom synthesis services for Phe-Pro dipeptide isostere and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.