N-acetyl-thiomuramyl-alanyl-isoglutamine
TL;DR: N-acetyl-thiomuramyl-alanyl-isoglutamine (CAS 83375-11-5) is a chemical compound with molecular formula C19H32N4O10S and molecular weight 508.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,2R)-2-[[(3S)-2-acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxybutyl]-4-hydroxythiazetidin-4-yl]amino]-5-amino-5-oxopent-3-enoic acid
Also Known As: Thiomuramyl dipeptide, N-Acetyl-thiomuramyl-alanyl-isoglutamine, (E,2R)-2-[[(3S)-2-acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxybutyl]-4-hydroxythiazetidin-4-yl]amino]-5-amino-5-oxopent-3-enoic acid, D-alpha-Glutamine, N2-(N-(N-acetyl-1-thio-beta-muramoyl)-L-alanyl)-, RefChem:162672
| Molecular Formula | C19H32N4O10S |
|---|---|
| Molecular Weight | 508.18 g/mol |
| LogP | -3.4527 |
| Topological Polar Surface Area | 238.13 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 508.18393 |
| Heavy Atoms | 34 |
| Complexity | 788.1811 |
Chemical Identifiers
| CAS Number | 83375-11-5 |
|---|---|
| SMILES | CC(CC[C@H]1C(SN1C(=O)C)(N[C@H](/C=C/C(=O)N)C(=O)O)O)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)CO)O)N |
Product Overview
N-acetyl-thiomuramyl-alanyl-isoglutamine (CAS 83375-11-5), with molecular formula C19H32N4O10S and molecular weight 508.18 g/mol. IUPAC: (E,2R)-2-[[(3S)-2-acetyl-3-[3-[(2S,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxybutyl]-4-hydroxythiazetidin-4-yl]amino]-5-amino-5-oxopent-3-enoic acid.
Chemical Property Profile of N-acetyl-thiomuramyl-alanyl-isoglutamine
Property Insights of N-acetyl-thiomuramyl-alanyl-isoglutamine
The XLogP value of -3.4527 indicates that N-acetyl-thiomuramyl-alanyl-isoglutamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 238.13 Ų indicates high polarity, suggesting N-acetyl-thiomuramyl-alanyl-isoglutamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-acetyl-thiomuramyl-alanyl-isoglutamine has 8 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-acetyl-thiomuramyl-alanyl-isoglutamine?
The CAS number of N-acetyl-thiomuramyl-alanyl-isoglutamine is 83375-11-5.
What is the molecular formula of N-acetyl-thiomuramyl-alanyl-isoglutamine?
The molecular formula of N-acetyl-thiomuramyl-alanyl-isoglutamine is C19H32N4O10S.
What is the molecular weight of N-acetyl-thiomuramyl-alanyl-isoglutamine?
The molecular weight of N-acetyl-thiomuramyl-alanyl-isoglutamine is 508.18 g/mol.
Where can I buy N-acetyl-thiomuramyl-alanyl-isoglutamine?
You can request a quote for N-acetyl-thiomuramyl-alanyl-isoglutamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-thiomuramyl-alanyl-isoglutamine?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-thiomuramyl-alanyl-isoglutamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.