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

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

CAS No:
148314-61-8
Formula:
C35H39N5O5
Chemical Name:
(2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
Synonyms:
LY289612;Phe-Pro dipeptide isostere;LY 289612;148314-61-8;LY-289612;N^1-(3-(2-(((1,1-Dimethylethyl)amino)carbonyl)phenyl)-2(R)-hydroxy-1(S)-(phenylmethyl)propyl)-2(S)-((2-quinolinylcarbonyl)amino)butanediamide;N^1-[3-[2-[[(1,1-Dimethylethyl)amino]carbonyl]phenyl]-2(R)-hydroxy-1(S)-(phenylmethyl)propyl]-2(S)-[(2-quinolinylcarbonyl)amino]butanediamide;BDBM3414;CHEMBL282787;SCHEMBL15531993;DTXSID40163966;(2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide;(2S)-N-[(1S,2R)-1-benzyl-3-[2-(tert-butylcarbamoyl)phenyl]-2-hydroxy-propyl]-2-(quinoline-2-carbonylamino)butanediamide;(2S)-N-[(2S,3R)-4-[2-(tert-butylcarbamoyl)phenyl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide

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

Molecular Weight：

609.7 g/mol

Exact Mass：

609.29511936 g/mol

DSSTox ID：

DTXSID40163966

Characteristics

PSA：

164 Å²

Computed Properties

Molecular Weight:609.7
XLogP3:3.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:609.29511936
Monoisotopic Mass:609.29511936
Topological Polar Surface Area:164
Heavy Atom Count:45
Complexity:1010
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: methyl chloride; sodium hydroxide sds; formaldehyde formaldehyde; chemical formula glycerol; pbso4; hydroxyacetophenone

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

Basic Attributes
Characteristics
Computed Properties

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