(2S)-2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenylpropanoic acid
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![(2S)-2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/575a44f1c84e49918059816a8d3af087.png "(2S)-2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenylpropanoic acid")
(2S)-2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenylpropanoic acid
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CAS No:
64905-22-2
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Formula:
C18H19NO3S
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Chemical Name:
(2S)-2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenylpropanoic acid
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Synonyms:
KF 1492;KF-1492;N-(4-methylbenzylthiocarbonyl)-L-phenylalanine;N-(4-methylbenzylthiocarbonyl)phenylalanine;N-(4-methylbenzylthiocarbonyl)phenylalanine, (D)-isomer;N-(4-methylbenzylthiocarbonyl)phenylalanine, (DL)-isomer;KF-1492;64905-22-2;N-(4-Methylbenzylthiocarbonyl)phenylalanine;DTXSID80983488;ZINC6070878;L-Phenylalanine, N-((((4-methylphenyl)methyl)thio)carbonyl)-;N-(Hydroxy{[(4-methylphenyl)methyl]sulfanyl}methylidene)phenylalanine
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CAS No:
(2S)-2-[(4-methylphenyl)methylsulfanylcarbonylamino]-3-phenylpropanoic acid Basic Attributes
329.4 g/mol
329.10856464 g/mol
Computed Properties
Molecular Weight:329.4
XLogP3:3.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:329.10856464
Monoisotopic Mass:329.10856464
Topological Polar Surface Area:91.7
Heavy Atom Count:23
Complexity:388
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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