2-(1-amino-1-oxobutan-2-yl)sulfanyl-3-methylhexanoic acid
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2-(1-amino-1-oxobutan-2-yl)sulfanyl-3-methylhexanoic acid
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CAS No:
100050-51-9
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Formula:
C11H21NO3S
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Chemical Name:
2-(1-amino-1-oxobutan-2-yl)sulfanyl-3-methylhexanoic acid
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Synonyms:
NSC84544;2-(1-carbamoyl-propylsulfanyl)-3-methyl-hexanoic acid;NSC-84544;100050-51-9
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CAS No:
2-(1-amino-1-oxobutan-2-yl)sulfanyl-3-methylhexanoic acid Basic Attributes
247.36 g/mol
247.12421471 g/mol
84544
Computed Properties
Molecular Weight:247.36
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:247.12421471
Monoisotopic Mass:247.12421471
Topological Polar Surface Area:106
Heavy Atom Count:16
Complexity:245
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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