 Home > Encyclopedia > 1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline

1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline

1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline structure

CAS No:
64838-55-7
Formula:
C11H17NO4S
Chemical Name:
1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline
Synonyms:
L-Proline,1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-;L-Proline,1-[3-(acetylthio)-2-methyl-1-oxopropyl]-,(S)-;1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline;(S,S)-1-(D-3-Acetylthio-2-methylpropanoyl)-L-proline;S-Acetylcaptopril;DU 1163;78397-34-9
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

white fine powder

1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline Basic Attributes

Molecular Weight：

259.32

Exact Mass：

259.32

EC Number：

265-250-7

HScode：

2933990090

Characteristics

PSA：

99.98000

XLogP3：

0.40

Appearance：

Solid.

Density：

1.3±0.1 g/cm3

Melting Point：

76-82 °C(lit.)

Boiling Point：

464.8±40.0 °C at 760 mmHg

Flash Point：

234.9±27.3 °C

Refractive Index：

1.549

Storage Conditions：

Store in a cool, dry place. Store in a tightly closed container.

Specific rotation：

-158 º (c=1, MeOH)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

24/25-26

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Danger|H317 (17.39%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P201, P202, P260, P261, P264, P270, P272, P280, P281, P302+P352, P305+P351+P338, P308+P313, P314, P321, P333+P313, P337+P313, P363, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline Use and Manufacturing

1-[(S)-3-(Acetylthio)isobutyryl]-L-proline Hydrate is used in the preparation of captopril derivatives, used as angiotensin converting enzymes.

Computed Properties

Molecular Weight:277.34
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:277.09839388
Monoisotopic Mass:277.09839388
Topological Polar Surface Area:101
Heavy Atom Count:18
Complexity:331
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Downstream Products

Calcium chloride, dihydrate

Acetic acid

Monopotassium phosphate

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Guide of 1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Downstream Products
Learn More Other Chemicals

1-[(2S)-3-(Acetylthio)-2-methyl-1-oxopropyl]-L-proline

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