Kahalalide A

N-[(2R)-1-[[(3S,6R,9S,12R,15R,18R,19S)-12-benzyl-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbutanamide

CAS: 179733-11-0

Molecular Formula	`C46H67N7O11`
Molecular Weight	894.1 g/mol
LogP	4.8
Topological Polar Surface Area	270.0 A2
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	11
Rotatable Bonds	15
Exact Mass	893.48987
Heavy Atoms	64
Complexity	1580.0

Chemical Identifiers

CAS Number	179733-11-0
SMILES	`CCC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)C)CC3=CC=CC=C3)CC(C)C)C(C)O)CO)C`
InChIKey	`WEBZVDAMOOBHRC-DRVIOHKISA-N`

📖 Product Overview

Kahalalide A (CAS: 179733-11-0) is a chemical compound with molecular formula C46H67N7O11 and molecular weight 894.1 g/mol. Its IUPAC systematic name is N-[(2R)-1-[[(3S,6R,9S,12R,15R,18R,19S)-12-benzyl-6-[(1R)-1-hydroxyethyl]-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylbutanamide. LogP 4.8 Topological Polar Surface Area 270.0 A2 Hydrogen Bond Donors 9 Hydrogen Bond Acceptors 11 Rotatable Bonds 15 Exact Mass 893.48987 Heavy Atoms 64 Complexity 1580.0 InChI Key: WEBZVDAMOOBHRC-DRVIOHKISA-N. SMILES: CCC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC2C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)C)CC3=CC=CC=C3)CC(C)C)C(C)O)CO)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?

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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.

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