 Home > Encyclopedia > (2R,3R,4S)-4-[[(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoyl]amino]-2-(benzylamino)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-3-hydroxy-5-phenylpentanamide

(2R,3R,4S)-4-[[(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoyl]amino]-2-(benzylamino)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-3-hydroxy-5-phenylpentanamide

(2R,3R,4S)-4-[[(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoyl]amino]-2-(benzylamino)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-3-hydroxy-5-phenylpentanamide structure

CAS No:
161186-50-1
Formula:
C45H55N7O5
Chemical Name:
(2R,3R,4S)-4-[[(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoyl]amino]-2-(benzylamino)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-3-hydroxy-5-phenylpentanamide
Synonyms:
Statine deriv. 39; (2R,3R,4S)-N-(2-(Benzylamino)-4-((N-((2-benzimidazolyl)propanoyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamide;

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(2R,3R,4S)-4-[[(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoyl]amino]-2-(benzylamino)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-3-hydroxy-5-phenylpentanamide Basic Attributes

Molecular Weight：

773.96200

Exact Mass：

773.42646788 g/mol

DSSTox ID：

DTXSID10167077

Characteristics

PSA：

191.30000

XLogP3：

8.09240

Density：

1.209g/cm3

Boiling Point：

1113.4ºC

Flash Point：

627.1ºC

Refractive Index：

1.611

Vapor Pressure：

0mmHg at 25°C

Computed Properties

Molecular Weight:774.0
XLogP3:5.8
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:20
Exact Mass:773.42646788
Monoisotopic Mass:773.42646788
Topological Polar Surface Area:177
Heavy Atom Count:57
Complexity:1250
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2R,3R,4S)-4-[[(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoyl]amino]-2-(benzylamino)-N-[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]-3-hydroxy-5-phenylpentanamide

Basic Attributes
Characteristics
Computed Properties

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