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

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

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

CAS No:
127852-92-0
Formula:
C34H44N6O5
Chemical Name:
(2S)-N-[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide

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

Molecular Weight：

616.75000

Exact Mass：

616.33731853 g/mol

DSSTox ID：

DTXSID80155683

Characteristics

PSA：

174.72000

XLogP3：

5.22530

Density：

1.228g/cm3

Boiling Point：

993.4ºC

Flash Point：

554.6ºC

Refractive Index：

1.603

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:616.7
XLogP3:2.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:616.33731853
Monoisotopic Mass:616.33731853
Topological Polar Surface Area:167
Heavy Atom Count:45
Complexity:1010
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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