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(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide

(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide structure

CAS No:
113215-69-3
Formula:
C19H23F3N2O4
Chemical Name:
(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide
Synonyms:
Ac-Leu-phe-CF3; N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone; N-Acetyl-L-leucyl-L-phenylalanyltrifluoromethane;

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(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide Basic Attributes

Molecular Weight：

400.39200

Exact Mass：

372.16607709

DSSTox ID：

DTXSID30150325

Characteristics

PSA：

92.34000

XLogP3：

2.74700

Density：

1.186g/cm3

Boiling Point：

547.3ºC

Flash Point：

284.8ºC

Refractive Index：

1.483

Vapor Pressure：

4.95E-12mmHg at 25°C

Drug Information

MeSH Entry Terms：

Ac-Leu-Phe-CF3

Computed Properties

Molecular Weight:372.4
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:372.16607709
Monoisotopic Mass:372.16607709
Topological Polar Surface Area:75.3
Heavy Atom Count:26
Complexity:500
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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