Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate

Basic Information

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CAS Number

868539-96-2

Molecular Formula

C31H43N3O6

Molecular Weight

553.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

753.4±60.0°C at 760 mmHg

SMILES

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CC(C)(C)OC(N[C@@H](CCC1=CC=CC=C1)C(N[C@@H](CC(C)C)C(N[C@@H](CC2=CC=CC=C2)C(OC)=O)=O)=O)=O

InChI

InChI=1S/C31H43N3O6/c1-21(2)19-25(28(36)33-26(29(37)39-6)20-23-15-11-8-12-16-23)32-27(35)24(34-30(38)40-31(3,4)5)18-17-22-13-9-7-10-14-22/h7-16,21,24-26H,17-20H2,1-6H3,(H,32,35)(H,33,36)(H,34,38)/t24-,25-,26-/m0/s1

InChIKey

JFGARGKDQGQVNA-GSDHBNRESA-N

LogP

3.943900000000003

Topological Polar Surface Area

122.82999999999998 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Boc-HPh-Leu-Phe-Ome
(6S,9S,12S)-Methyl 12-benzyl-9-isobutyl-2,2-dimethyl-4,7,10-trioxo-6-phenethyl-3-oxa-5,8,11-triazatridecan-13-oate
L-Phenylalanine, (αS)-α-[[(1,1-dimethylethoxy)carbonyl]amino]benzenebutanoyl-L-leucyl-, methyl ester

MDL Number

MFCD28167958

FAQ

What is Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2)?

Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2) is a complex organic compound used primarily in pharmaceuticals and research due to its specific chemical structure and functionality.

What are the main uses of Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2)?

Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2) is mainly used in pharmaceutical research for developing and synthesizing new drug candidates, as well as in biochemical research for studying enzyme interactions.

Is Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2) safe?

Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2) is generally safe when handled properly. Users should follow safety guidelines, including wearing protective gloves and goggles, and storing it in a secure, well-ventilated area to prevent inhalation or skin contact.

How should Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2) be stored?

Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2) should be stored in a cool, dry, and well-ventilated area away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent moisture and air contamination.

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

Compound Q&A

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Compound Q&A

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Compound Q&A

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Compound Q&A

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Compound Q&A

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NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

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Compound Q&A

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1310404-58-0(2-(2,2,2-Trifluoroa...

Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

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Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

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Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate | CAS No. 868539-96-2

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Boiling Point

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What is Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2)?

What are the main uses of Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2)?

Is Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2) safe?

How should Methyl N-[(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-4-phenylbutanoyl]-L-leucyl-L-phenylalaninate (CAS: 868539-96-2) be stored?

Related Compounds

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