Kni 102 structure

Kni 102

benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate

CAS: 139694-65-8
Molecular Formula C31H41N5O7
Molecular Weight 595.7 g/mol
LogP 1.4
Topological Polar Surface Area 180.0 A2
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
Rotatable Bonds 14
Exact Mass 595.3006
Heavy Atoms 43
Complexity 972.0

Chemical Identifiers

CAS Number 139694-65-8
SMILES CC(C)(C)NC(=O)C1CCCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)OCC3=CC=CC=C3)O
InChIKey XCVUOCMQYKSJJR-IGRGDXOOSA-N

📖 Product Overview

Kni 102 (CAS: 139694-65-8) is a chemical compound with molecular formula C31H41N5O7 and molecular weight 595.7 g/mol. Its IUPAC systematic name is benzyl N-[(2S)-4-amino-1-[[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate. LogP 1.4 Topological Polar Surface Area 180.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 7 Rotatable Bonds 14 Exact Mass 595.3006 Heavy Atoms 43 Complexity 972.0 InChI Key: XCVUOCMQYKSJJR-IGRGDXOOSA-N. SMILES: CC(C)(C)NC(=O)C1CCCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)OCC3=CC=CC=C3)O.

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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?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

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