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ethyl (2S)-3-methyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]butanoate

ethyl (2S)-3-methyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]butanoate structure

CAS No:
133526-79-1
Formula:
C16H21N5O3S
Chemical Name:
ethyl (2S)-3-methyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]butanoate
Synonyms:
L-Valine,N-(((1-phenyl-1H-tetrazol-5-yl)thio)acetyl)-,ethyl ester; N-(((1-Phenyl-1H-tetrazol-5-yl)thio)acetyl)-L-valine ethyl ester;

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ethyl (2S)-3-methyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]butanoate Basic Attributes

Molecular Weight：

363.43500

Exact Mass：

363.13651072

DSSTox ID：

DTXSID20158158

Characteristics

PSA：

127.79000

XLogP3：

2.29860

Density：

1.31g/cm3

Refractive Index：

1.626

Computed Properties

Molecular Weight:363.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:363.13651072
Monoisotopic Mass:363.13651072
Topological Polar Surface Area:124
Heavy Atom Count:25
Complexity:446
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl (2S)-3-methyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]butanoate

Basic Attributes
Characteristics
Computed Properties
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