Uperolein
TL;DR: Uperolein (CAS 55601-63-3) is a chemical compound with molecular formula C57H79N13O16S and molecular weight 1233.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[[4-amino-1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid
Also Known As: Uperolein, 2-L-Proline-6-L-alaninephysalemin, 4-[2-[[4-amino-1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid, H-DL-Pyr-DL-Pro-DL-Asp-DL-Pro-DL-Asn-DL-Ala-DL-Phe-DL-Tyr-Gly-DL-Leu-DL-Met-NH2
| Molecular Formula | C57H79N13O16S |
|---|---|
| Molecular Weight | 1233.55 g/mol |
| LogP | -3.3977 |
| Topological Polar Surface Area | 446.23 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 32 |
| Exact Mass | 1233.5488 |
| Heavy Atoms | 87 |
| Complexity | 2863.5051 |
Chemical Identifiers
| CAS Number | 55601-63-3 |
|---|---|
| SMILES | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C3CCCN3C(=O)C(CC(=O)O)NC(=O)C4CCCN4C(=O)C5CCC(=O)N5 |
Product Overview
Uperolein (CAS 55601-63-3), with molecular formula C57H79N13O16S and molecular weight 1233.55 g/mol. IUPAC: 4-[2-[[4-amino-1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid.
Chemical Property Profile of Uperolein
Property Insights of Uperolein
The XLogP value of -3.3977 indicates that Uperolein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 446.23 Ų indicates high polarity, suggesting Uperolein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Uperolein has 13 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Uperolein?
The CAS number of Uperolein is 55601-63-3.
What is the molecular formula of Uperolein?
The molecular formula of Uperolein is C57H79N13O16S.
What is the molecular weight of Uperolein?
The molecular weight of Uperolein is 1233.55 g/mol.
Where can I buy Uperolein?
You can request a quote for Uperolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uperolein?
Yes, KEHONG BIO provides custom synthesis services for Uperolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.