Smac-based peptide
TL;DR: Smac-based peptide (CAS 411230-24-5) is a chemical compound with molecular formula C41H71N11O14 and molecular weight 941.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid
Also Known As: Smac-based peptide, AVPIAQKSE, 1g3f, EX-A9708, HY-P5346
| Molecular Formula | C41H71N11O14 |
|---|---|
| Molecular Weight | 941.52 g/mol |
| LogP | -4.2236 |
| Topological Polar Surface Area | 413.97 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 941.5182 |
| Heavy Atoms | 66 |
| Complexity | 1731.0135 |
Chemical Identifiers
| CAS Number | 411230-24-5 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C)N |
Product Overview
Smac-based peptide (CAS 411230-24-5), with molecular formula C41H71N11O14 and molecular weight 941.52 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]pentanedioic acid.
Chemical Property Profile of Smac-based peptide
Property Insights of Smac-based peptide
The XLogP value of -4.2236 indicates that Smac-based peptide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 413.97 Ų indicates high polarity, suggesting Smac-based peptide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Smac-based peptide has 13 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 Smac-based peptide?
The CAS number of Smac-based peptide is 411230-24-5.
What is the molecular formula of Smac-based peptide?
The molecular formula of Smac-based peptide is C41H71N11O14.
What is the molecular weight of Smac-based peptide?
The molecular weight of Smac-based peptide is 941.52 g/mol.
Where can I buy Smac-based peptide?
You can request a quote for Smac-based peptide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Smac-based peptide?
Yes, KEHONG BIO provides custom synthesis services for Smac-based peptide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.