(2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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![(2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d586b8ce1fdb443c8140e9201e5ac915.png "(2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid")
(2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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CAS No:
41117-66-2
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Formula:
C17H25NO4S
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Chemical Name:
(2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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Synonyms:
Boc-S-3,4-dimethylbenzyl-L-cysteine;
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CAS No:
(2R)-3-[(3,4-dimethylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Basic Attributes
339.45000
339.15042945
DTXSID30426870
2930909090
Computed Properties
Molecular Weight:339.5
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:339.15042945
Monoisotopic Mass:339.15042945
Topological Polar Surface Area:101
Heavy Atom Count:23
Complexity:408
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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