Hiv protease substrate III
TL;DR: Hiv protease substrate III (CAS 138608-20-5) is a chemical compound with molecular formula C58H95N19O16 and molecular weight 1313.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Also Known As: HIV PROTEASE SUBSTRATE III, HIVPROTEASESUBSTRATEIII, (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, H-His-Lys-Ala-Arg-Val-Leu-p-nitro-Phe-Glu-Ala-Nle-Ser-NH2, His-Lys-Ala-Arg-Val-Leu-Phe(paraNO2)-Glu-ala-Nle-Ser-NH2
| Molecular Formula | C58H95N19O16 |
|---|---|
| Molecular Weight | 1313.72 g/mol |
| LogP | -4.2645 |
| Topological Polar Surface Area | 579.88 Ų |
| Hydrogen Bond Donors | 18 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 44 |
| Exact Mass | 1313.7205 |
| Heavy Atoms | 93 |
| Complexity | 2854.8115 |
Chemical Identifiers
| CAS Number | 138608-20-5 |
|---|---|
| SMILES | CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CN=CN2)N |
Product Overview
Hiv protease substrate III (CAS 138608-20-5), with molecular formula C58H95N19O16 and molecular weight 1313.72 g/mol. IUPAC: (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid.
Chemical Property Profile of Hiv protease substrate III
Property Insights of Hiv protease substrate III
The XLogP value of -4.2645 indicates that Hiv protease substrate III is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 579.88 Ų indicates high polarity, suggesting Hiv protease substrate III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hiv protease substrate III has 18 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hiv protease substrate III?
The CAS number of Hiv protease substrate III is 138608-20-5.
What is the molecular formula of Hiv protease substrate III?
The molecular formula of Hiv protease substrate III is C58H95N19O16.
What is the molecular weight of Hiv protease substrate III?
The molecular weight of Hiv protease substrate III is 1313.72 g/mol.
Where can I buy Hiv protease substrate III?
You can request a quote for Hiv protease substrate III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hiv protease substrate III?
Yes, KEHONG BIO provides custom synthesis services for Hiv protease substrate III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.