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

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

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

CAS No:
161510-50-5
Formula:
C44H55N5O6
Chemical Name:
benzyl N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S,3S)-1-(benzylamino)-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Synonyms:
(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-valyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-isoleucine benzylamide;

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

Molecular Weight：

749.93700

Exact Mass：

749.41523449 g/mol

DSSTox ID：

DTXSID70167179

Characteristics

PSA：

171.85000

XLogP3：

8.14770

Density：

1.17g/cm3

Boiling Point：

997.1ºC

Flash Point：

556.8ºC

Refractive Index：

1.581

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:749.9
XLogP3:6.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:21
Exact Mass:749.41523449
Monoisotopic Mass:749.41523449
Topological Polar Surface Area:158
Heavy Atom Count:55
Complexity:1150
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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