U85548e structure

U85548e

2-[[(2S,3S)-2-[[(4S,5S)-5-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-7-methyl-2-propan-2-yloctanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid

CAS: 124020-62-8
Molecular Formula C40H73N9O12
Molecular Weight 872.1 g/mol
LogP -2.6
Topological Polar Surface Area 365.0 A2
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 13
Rotatable Bonds 29
Exact Mass 871.53784
Heavy Atoms 61
Complexity 1510.0

Chemical Identifiers

CAS Number 124020-62-8
SMILES CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)N)O)C(C)C
InChIKey BURQLNQHSQGPEJ-OGMXQXBRSA-N

📖 Product Overview

U85548e (CAS: 124020-62-8) is a chemical compound with molecular formula C40H73N9O12 and molecular weight 872.1 g/mol. Its IUPAC systematic name is 2-[[(2S,3S)-2-[[(4S,5S)-5-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-7-methyl-2-propan-2-yloctanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid. LogP -2.6 Topological Polar Surface Area 365.0 A2 Hydrogen Bond Donors 12 Hydrogen Bond Acceptors 13 Rotatable Bonds 29 Exact Mass 871.53784 Heavy Atoms 61 Complexity 1510.0 InChI Key: BURQLNQHSQGPEJ-OGMXQXBRSA-N. SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)N)O)C(C)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
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