N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺
TL;DR: N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 (CAS 66112-58-1) is a chemical compound with molecular formula C20H34N4O11 and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺
(2R)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-(2-aminobutanoyl)amino]-5-amino-5-oxopentanoic acid
Also Known As: Abu-mdp, N-Acetylmuramyl-aminobutyryl-isoglutamine, Aminobutyryl muramyl dipeptide, N-Acetylmuramyl-L-alpha-aminobutyryl-D-isoglutamine, (2R)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-(2-aminobutanoyl)amino]-5-amino-5-oxopentanoic acid
| Molecular Formula | C20H34N4O11 |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | -5.8 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 506.2224 |
| Heavy Atoms | 35 |
| Complexity | 795.0 |
Chemical Identifiers
| CAS Number | 66112-58-1 |
|---|---|
| SMILES | CCC(C(=O)N([C@H](CCC(=O)N)C(=O)O)C(=O)C(C)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C)N |
| InChIKey | PJJUOOFFIOYHAI-JVAAWXEHSA-N |
Product Overview
N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 (CAS 66112-58-1), with molecular formula C20H34N4O11 and molecular weight 506.22 g/mol. IUPAC: (2R)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl-(2-aminobutanoyl)amino]-5-amino-5-oxopentanoic acid.
Chemical Property Profile of N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺
Property Insights of N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺
The XLogP value of -5.8 indicates that N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.0 Ų indicates high polarity, suggesting N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺?
The CAS number of N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 is 66112-58-1.
What is the molecular formula of N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺?
The molecular formula of N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 is C20H34N4O11.
What is the molecular weight of N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺?
The molecular weight of N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 is 506.22 g/mol.
Where can I buy N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺?
You can request a quote for N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺?
Yes, KEHONG BIO provides custom synthesis services for N-乙酰胞壁酰-氨基丁酰-异谷氨酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.