Mureidomycin A
TL;DR: Mureidomycin A (CAS 114797-04-5) is a chemical compound with molecular formula C38H48N8O12S and molecular weight 840.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(2S)-1-[[2-amino-3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]butanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Also Known As: Mureidomycin A, MRD A, 2-[[(2S)-1-[[2-amino-3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]butanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid, Butanamide, N-(((1-carboxy-2-(3-hydroxyphenyl)ethyl)amino)carbonyl)methionyl-N-((5-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)dihydro-4-hydroxy-2(3H)-furanylidene)methyl)-N(sup 3)-(3-hydroxyphenylalanyl)-N(sup 3)-methyl-D-2,3-diamino-
| Molecular Formula | C38H48N8O12S |
|---|---|
| Molecular Weight | 840.31 g/mol |
| LogP | -0.7148 |
| Topological Polar Surface Area | 312.94 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Exact Mass | 840.3112 |
| Heavy Atoms | 59 |
| Complexity | 2161.9927 |
Chemical Identifiers
| CAS Number | 114797-04-5 |
|---|---|
| SMILES | CC(C(C(=O)N(/C=C/1\CC(C(O1)N2C=CC(=O)NC2=O)O)C(=O)[C@H](CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N)N(C)C(=O)[C@H](CC4=CC(=CC=C4)O)N |
Product Overview
Mureidomycin A (CAS 114797-04-5), with molecular formula C38H48N8O12S and molecular weight 840.31 g/mol. IUPAC: 2-[[(2S)-1-[[2-amino-3-[[(2S)-2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]butanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid.
Chemical Property Profile of Mureidomycin A
Property Insights of Mureidomycin A
The XLogP value of -0.7148 indicates that Mureidomycin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 312.94 Ų indicates high polarity, suggesting Mureidomycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mureidomycin A has 9 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mureidomycin A?
The CAS number of Mureidomycin A is 114797-04-5.
What is the molecular formula of Mureidomycin A?
The molecular formula of Mureidomycin A is C38H48N8O12S.
What is the molecular weight of Mureidomycin A?
The molecular weight of Mureidomycin A is 840.31 g/mol.
Where can I buy Mureidomycin A?
You can request a quote for Mureidomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mureidomycin A?
Yes, KEHONG BIO provides custom synthesis services for Mureidomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.