3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
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3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
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CAS No:
61587-02-8
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Formula:
C12H15NO4S
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Chemical Name:
3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
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Synonyms:
61587-02-8;n-[(benzyloxy)carbonyl]-s-methylcysteine;NSC163114;N-(benzyloxycarbonyl)-S-methyl-D,L-cysteine;DTXSID80303869;AKOS013459901;NSC-163114;95406-97-6
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CAS No:
3-methylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Basic Attributes
269.32 g/mol
269.07217913 g/mol
163114
DTXSID80303869
Computed Properties
Molecular Weight:269.32
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:269.07217913
Monoisotopic Mass:269.07217913
Topological Polar Surface Area:101
Heavy Atom Count:18
Complexity:279
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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