(2S)-3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]propanoic acid
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![(2S)-3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c2aa7f6d262c41bbb7afc7672e0f96e5.png "(2S)-3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]propanoic acid")
(2S)-3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]propanoic acid
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CAS No:
958983-99-8
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Formula:
C21H22F3N3O3
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Chemical Name:
(2S)-3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]propanoic acid
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Synonyms:
MLS000779057;CHEMBL2139976;HMS2770E03;ZINC2411795;STL563771;AKOS032387768;MCULE-6313938881;SMR000415733;N-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}carbonyl)-L-phenylalanine;(S)-3-Phenyl-2-{[4-(3-trifluoromethyl-phenyl)-piperazine-1-carbonyl]-amino}-propionic acid;958983-99-8
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CAS No:
(2S)-3-phenyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]propanoic acid Basic Attributes
421.4 g/mol
421.16132606 g/mol
Computed Properties
Molecular Weight:421.4
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:421.16132606
Monoisotopic Mass:421.16132606
Topological Polar Surface Area:72.9
Heavy Atom Count:30
Complexity:588
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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