[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
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![[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f38c859e5cc1490c9dece90ff16f5e15.png "[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate")
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
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CAS No:
956453-07-9
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Formula:
C21H18ClFN4O5
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Chemical Name:
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate
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Synonyms:
SMR000264877;MLS000418055;MLS002634259;CHEMBL1467046;HMS2574B09;ZINC3291354;AKOS034826652;MCULE-1538055133;AB00571099-02;Z56950398;[(5-chloro-2-cyanophenyl)carbamoyl]methyl (2S)-4-carbamoyl-2-[(4-fluorophenyl)formamido]butanoate;956453-07-9
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CAS No:
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (2S)-5-amino-2-[(4-fluorobenzoyl)amino]-5-oxopentanoate Basic Attributes
460.8 g/mol
460.0949755 g/mol
Computed Properties
Molecular Weight:460.8
XLogP3:2.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:460.0949755
Monoisotopic Mass:460.0949755
Topological Polar Surface Area:151
Heavy Atom Count:32
Complexity:750
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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