![Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH structure](/static/products/3619/36193-36-9.webp)
Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH
TL;DR: Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH (CAS 36193-36-9) is a chemical compound with molecular formula C38H56N6O13 and molecular weight 804.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]-4-phenylmethoxypyrrolidine-2-carbonyl]amino]pentanoic acid
Also Known As: Azapeptide-based compound 21, J1.419.213A, Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH, L-Norvaline, N-acetyl-L-alpha-aspartyl-L-alpha-aspartyl-L-isoleucyl-L-valyl-(4R)-4-(phenylmethoxy)-L-prolyl- (9CI), (2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]-4-phenylmethoxypyrrolidine-2-carbonyl]amino]pentanoic acid
| Molecular Formula | C38H56N6O13 |
|---|---|
| Molecular Weight | 804.39 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 287.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 23 |
| Exact Mass | 804.39056 |
| Heavy Atoms | 57 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 36193-36-9 |
|---|---|
| SMILES | CCC[C@@H](C(=O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C)OCC2=CC=CC=C2 |
| InChIKey | BJZUJRBREKDMAU-RHWOVPMSSA-N |
Product Overview
Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH (CAS 36193-36-9), with molecular formula C38H56N6O13 and molecular weight 804.39 g/mol. IUPAC: (2S)-2-[[(2S,4R)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]-4-phenylmethoxypyrrolidine-2-carbonyl]amino]pentanoic acid.
Chemical Property Profile of Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH
Property Insights of Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH. The TPSA of 287.0 Ų indicates high polarity, suggesting Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH?
The CAS number of Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH is 36193-36-9.
What is the molecular formula of Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH?
The molecular formula of Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH is C38H56N6O13.
What is the molecular weight of Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH?
The molecular weight of Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH is 804.39 g/mol.
Where can I buy Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH?
You can request a quote for Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-Asp-Asp-Ile-Val-[(4R)Benzyloxyproline]-Norvaline-OH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.