isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH
TL;DR: isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH (CAS 51724-57-3) is a chemical compound with molecular formula C33H61N5O9 and molecular weight 671.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid
Also Known As: Pepsinostreptin, N-Isobutyrylpepstatin, 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid, Isobutyryl-Val-Val-Sta-Ala-Sta (Sta = statine = (3S,4S)-4-Amino-3-hydroxy-6-methylheptanoic acid)
| Molecular Formula | C33H61N5O9 |
|---|---|
| Molecular Weight | 671.45 g/mol |
| LogP | 1.0771 |
| Topological Polar Surface Area | 223.26 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 671.4469 |
| Heavy Atoms | 47 |
| Complexity | 1047.5175 |
Chemical Identifiers
| CAS Number | 51724-57-3 |
|---|---|
| SMILES | CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C)C)O |
Product Overview
isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH (CAS 51724-57-3), with molecular formula C33H61N5O9 and molecular weight 671.45 g/mol. IUPAC: 3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(2-methylpropanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid.
Chemical Property Profile of isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH
Property Insights of isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH
The XLogP value of 1.0771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH. The TPSA of 223.26 Ų indicates high polarity, suggesting isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH?
The CAS number of isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH is 51724-57-3.
What is the molecular formula of isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH?
The molecular formula of isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH is C33H61N5O9.
What is the molecular weight of isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH?
The molecular weight of isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH is 671.45 g/mol.
Where can I buy isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH?
You can request a quote for isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH?
Yes, KEHONG BIO provides custom synthesis services for isobutyryl-DL-Val-DL-Val-Sta(3xi,4xi)-DL-Ala-Sta(3xi,4xi)-OH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.