![[(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium structure](/static/products/951/95150-22-4.png)
[(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium
TL;DR: [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium (CAS 95150-22-4) is a chemical compound with molecular formula C37H60N13O9S+ and molecular weight 862.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium
Also Known As: [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium
| Molecular Formula | C37H60N13O9S+ |
|---|---|
| Molecular Weight | 862.44 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 347.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 22 |
| Exact Mass | 862.4358 |
| Heavy Atoms | 60 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 95150-22-4 |
|---|---|
| SMILES | C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3=CN=CN3)N)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCC[NH3+])C(=O)N |
| InChIKey | SLDRMAKYUDOFJV-RMIXPHLWSA-O |
Product Overview
[(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium (CAS 95150-22-4), with molecular formula C37H60N13O9S+ and molecular weight 862.44 g/mol. IUPAC: [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium.
Chemical Property Profile of [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium
Property Insights of [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium
The XLogP value of -4.3 indicates that [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 347.0 Ų indicates high polarity, suggesting [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium has 10 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 [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium?
The CAS number of [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium is 95150-22-4.
What is the molecular formula of [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium?
The molecular formula of [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium is C37H60N13O9S+.
What is the molecular weight of [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium?
The molecular weight of [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium is 862.44 g/mol.
Where can I buy [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium?
You can request a quote for [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium?
Yes, KEHONG BIO provides custom synthesis services for [(5S)-6-amino-5-[[(2R)-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-6-oxohexyl]azanium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.