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Benzeneacetic acid, alpha-[[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]amino]-, methyl ester, [S-(R,S)]- (9CI)

Benzeneacetic acid, alpha-[[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]amino]-, methyl ester, [S-(R*,S*)]- (9CI) structure

CAS No:
169452-97-5
Formula:
C18H28N2O3
Chemical Name:
Benzeneacetic acid, alpha-[[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]amino]-, methyl ester, [S-(R*,S*)]- (9CI)
Synonyms:
Methyl (2S)-({(2R)-3-methyl-1-[(2-methyl-2-propanyl)amino]-1-oxo-2-butanyl}amino)(phenyl)acetate;ZINC45235644

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Benzeneacetic acid, alpha-[[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]amino]-, methyl ester, [S-(R,S)]- (9CI) Basic Attributes

Molecular Weight：

320.42652

Exact Mass：

320.209993

Characteristics

PSA：

67.4

Computed Properties

Molecular Weight:320.4
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:320.20999276
Monoisotopic Mass:320.20999276
Topological Polar Surface Area:67.4
Heavy Atom Count:23
Complexity:396
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzeneacetic acid, alpha-[[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]amino]-, methyl ester, [S-(R*,S*)]- (9CI)

Basic Attributes
Characteristics
Computed Properties
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Benzeneacetic acid, alpha-[[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]amino]-, methyl ester, [S-(R*,S*)]- (9CI)

Benzeneacetic acid, alpha-[[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]amino]-, methyl ester, [S-(R*,S*)]- (9CI) Basic Attributes

Characteristics

Computed Properties

Benzeneacetic acid, alpha-[[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]amino]-, methyl ester, [S-(R,S)]- (9CI)

Benzeneacetic acid, alpha-[[1-[[(1,1-dimethylethyl)amino]carbonyl]-2-methylpropyl]amino]-, methyl ester, [S-(R,S)]- (9CI) Basic Attributes