(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid
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![(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/11556b0bd3e84c99a372e1a38cfd5276.png "(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid")
(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid
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CAS No:
1217471-51-6
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Formula:
C23H28F3N3O5S2
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Chemical Name:
(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid
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Synonyms:
FTI-276 trifluoroacetate salt;FTI 276 (TFA);1217471-51-6;NSC700554;170006-72-1;SCHEMBL5084899;HY-15873A;AKOS024457079;NSC-700554;CS-0033184;FTI-276 trifluoroacetate salt, >=95% (HPLC);J-010592;N-[4-[2(R)-Amino-3-mercaptopropyl]amino-2-phenylbenzoyl]methionine trifluoroacetate salt;(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid;L-Methionine,N-[[5-[[(2R)-2-amino-3-mercaptopropyl]amino][1,1\'-biphenyl]-2-yl]carbonyl]-
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CAS No:
(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid Basic Attributes
547.6 g/mol
547.14224784 g/mol
700554
Computed Properties
Molecular Weight:547.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:11
Exact Mass:547.14224784
Monoisotopic Mass:547.14224784
Topological Polar Surface Area:168
Heavy Atom Count:36
Complexity:601
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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