![(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid structure](/static/products/1276/12769-04-9.webp)
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
TL;DR: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid (CAS 12769-04-9) is a chemical compound with molecular formula C34H59N7O12 and molecular weight 757.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Also Known As: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid, (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-4-hydroxy-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
| Molecular Formula | C34H59N7O12 |
|---|---|
| Molecular Weight | 757.42 g/mol |
| LogP | -5.2 |
| Topological Polar Surface Area | 305.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 24 |
| Exact Mass | 757.4222 |
| Heavy Atoms | 53 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 12769-04-9 |
|---|---|
| SMILES | C[C@H]1COC([C@H]1N)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C=O |
| InChIKey | VOXUHHVRGZXUKP-CQHRWYTRSA-N |
Product Overview
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid (CAS 12769-04-9), with molecular formula C34H59N7O12 and molecular weight 757.42 g/mol. IUPAC: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Property Insights of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
The XLogP value of -5.2 indicates that (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 305.0 Ų indicates high polarity, suggesting (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid has 10 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 (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
The CAS number of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid is 12769-04-9.
What is the molecular formula of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
The molecular formula of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid is C34H59N7O12.
What is the molecular weight of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
The molecular weight of (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid is 757.42 g/mol.
Where can I buy (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
You can request a quote for (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,4R)-3-amino-4-methyloxolan-2-yl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-carboxy-3-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.