Kynostatin 227

(4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

CAS: 147384-69-8

Molecular Formula	`C35H45N5O6S2`
Molecular Weight	695.9 g/mol
LogP	3.9
Topological Polar Surface Area	201.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	14
Exact Mass	695.2811
Heavy Atoms	48
Complexity	1110.0

Chemical Identifiers

CAS Number	147384-69-8
SMILES	`CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O)C(=O)NC(C)(C)C)C`
InChIKey	`AHWCYDXQIXZVRK-RPQLRNILSA-N`

📖 Product Overview

Kynostatin 227 (CAS: 147384-69-8) is a chemical compound with molecular formula C35H45N5O6S2 and molecular weight 695.9 g/mol. Its IUPAC systematic name is (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[[(2R)-2-[(2-isoquinolin-5-yloxyacetyl)amino]-3-methylsulfanylpropanoyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide. LogP 3.9 Topological Polar Surface Area 201.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 14 Exact Mass 695.2811 Heavy Atoms 48 Complexity 1110.0 InChI Key: AHWCYDXQIXZVRK-RPQLRNILSA-N. SMILES: CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O)C(=O)NC(C)(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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