 Home > Encyclopedia > N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide

N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide

N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide structure

CAS No:
161510-56-1
Formula:
C45H52N6O5
Chemical Name:
N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
Synonyms:
(2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((2-quinolinyl)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide;

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N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide Basic Attributes

Molecular Weight：

756.93200

Exact Mass：

756.39991878 g/mol

Characteristics

PSA：

172.02000

XLogP3：

7.99590

Density：

1.201g/cm3

Boiling Point：

1066ºC

Flash Point：

598.5ºC

Refractive Index：

1.612

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:756.9
XLogP3:6.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:18
Exact Mass:756.39991878
Monoisotopic Mass:756.39991878
Topological Polar Surface Area:162
Heavy Atom Count:56
Complexity:1230
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide

Basic Attributes
Characteristics
Computed Properties

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