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Benzoicacid,5-[[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]-

Benzoicacid,5-[[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]- structure

CAS No:
742056-06-0
Formula:
C31H27F3N4O5
Chemical Name:
Benzoicacid,5-[[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]-
Synonyms:
2-({2-[(2-Carboxyphenyl)amino]-5-(trifluoromethyl)phenyl}amino)-5-[(L-phenylalanylamino)methyl]benzoic acid;ZINC100290756

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Benzoicacid,5-[[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]- Basic Attributes

Molecular Weight：

592.575

Exact Mass：

592.193

Characteristics

PSA：

154

XLogP3：

Computed Properties

Molecular Weight:592.6
XLogP3:4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:11
Exact Mass:592.19335446
Monoisotopic Mass:592.19335446
Topological Polar Surface Area:154
Heavy Atom Count:43
Complexity:947
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Benzoicacid,5-[[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]methyl]-2-[[2-[(2-carboxyphenyl)amino]-5-(trifluoromethyl)phenyl]amino]-

Basic Attributes
Characteristics
Computed Properties

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