(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Modify Date: 2026-08-18 19:30:27

(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide structure	Common Name	(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
	CAS Number	189357-33-3	Molecular Weight	555.72900
	Density	1.181g/cm3	Boiling Point	829.6ºC at 760mmHg
	Molecular Formula	C₃₀H₄₁N₃O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	455.6ºC

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.181g/cm3
Boiling Point	829.6ºC at 760mmHg
Molecular Formula	C₃₀H₄₁N₃O₅S
Molecular Weight	555.72900
Flash Point	455.6ºC
Exact Mass	555.27700
PSA	140.25000
LogP	4.98390
Vapour Pressure	3.61E-29mmHg at 25°C
Index of Refraction	1.571
InChIKey	CSWRAOHDICNMPU-LLZJGCNPSA-N
SMILES	Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NC(C)(C)C

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Solubility
Source: ChEMBL
Target: N/A
External Id: CHEMBL875031

Name: HIV Enzyme Data
Source: NIAID
Target: N/A
External Id: HIV Enzyme Data

Name: Inhibition of HIV1 recombinant protease at 50 nM after 15 mins by fluorescence assay
Source: ChEMBL
Target: Protease
External Id: CHEMBL1037774

Name: T max was determined
Source: ChEMBL
Target: N/A
External Id: CHEMBL642681

Name: Water solubility by RP-HPLC
Source: ChEMBL
Target: N/A
External Id: CHEMBL628740

Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data

Name: Ratio of EC50 for HIV1 3B infected in human MT4 cells in presence of 50% human serum ...
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL1037781

Name: Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhibition...
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL1037779

Name: Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhibition...
Source: ChEMBL
Target: Human immunodeficiency virus 1
External Id: CHEMBL1037777

Name: Bioavailability
Source: ChEMBL
Target: N/A
External Id: CHEMBL639729

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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

A: Polar surface area (PSA) of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is 140.25000.

Q: What is the molecular formula of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

A: Molecular formula of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is C30H41N3O5S.

Q: What is the English name of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

A: The English name of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide.

Q: What is the boiling point of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

A: Boiling point of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is 829.6ºC at 760mmHg.

Q: What is the LogP of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

A: LogP of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is 4.98390.

Q: What is the InChIKey of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

A: InChIKey of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is CSWRAOHDICNMPU-LLZJGCNPSA-N.

Q: What is the CAS number of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

A: CAS number of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is 189357-33-3.

Q: What is the molecular weight of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

A: Molecular weight of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is 555.72900.

Q: What is the SMILES notation of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide?

A: SMILES notation of (4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide is Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)C(=O)N1CSC(C)(C)C1C(=O)NC(C)(C)C.

Q: What is the Chinese name of 189357-33-3?

A: Chinese name of 189357-33-3 is 189357-33-3.

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(4R)-N-tert-butyl-3-[(2S,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

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Chemical & Physical Properties

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.