 Home > Encyclopedia > (2S)-N-[(2S,3R)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

(2S)-N-[(2S,3R)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

(2S)-N-[(2S,3R)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide structure

CAS No:
186181-50-0
Formula:
C32H40N6O5S
Chemical Name:
(2S)-N-[(2S,3R)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

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(2S)-N-[(2S,3R)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide Basic Attributes

Molecular Weight：

620.76200

Exact Mass：

620.27808957 g/mol

DSSTox ID：

DTXSID20171862

Characteristics

PSA：

200.02000

XLogP3：

4.74570

Density：

1.283g/cm3

Boiling Point：

1025.4ºC

Flash Point：

574ºC

Refractive Index：

1.627

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:620.8
XLogP3:2.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:13
Exact Mass:620.27808957
Monoisotopic Mass:620.27808957
Topological Polar Surface Area:192
Heavy Atom Count:44
Complexity:1000
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2S)-N-[(2S,3R)-4-[(4R)-4-(tert-butylcarbamoyl)-1,3-thiazolidin-3-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

Basic Attributes
Characteristics
Computed Properties

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