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N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine

N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine structure

CAS No:
135038-59-4
Formula:
C14H17NO5S
Chemical Name:
N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine
Synonyms:
L-Alanine,N-[(2S)-3-(1,3-benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-;L-Alanine,N-[3-(1,3-benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-,(S)-;N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine;Alatrioprilat;Aladotrilat;Fasidotrilat

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N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine Basic Attributes

Molecular Weight：

311.356

Exact Mass：

311.35

DSSTox ID：

DTXSID20159221

Characteristics

PSA：

85.9

XLogP3：

1.6

Specific rotation：

D25 +12.9° (c = 1.3 in methanol)

Drug Information

MeSH Entry Terms：

aladotrilat

Computed Properties

Molecular Weight:311.36
XLogP3:1.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:311.08274382
Monoisotopic Mass:311.08274382
Topological Polar Surface Area:85.9
Heavy Atom Count:21
Complexity:392
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine

Basic Attributes
Characteristics
Drug Information
Computed Properties

N-[(2S)-3-(1,3-Benzodioxol-5-yl)-2-(mercaptomethyl)-1-oxopropyl]-L-alanine

SDS

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