(2S)-2-formamido-3-methyl-3-sulfanylbutanoic acid
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(2S)-2-formamido-3-methyl-3-sulfanylbutanoic acid
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CAS No:
13833-89-1
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Formula:
C6H11NO3S
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Chemical Name:
(2S)-2-formamido-3-methyl-3-sulfanylbutanoic acid
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Synonyms:
D-Valine, N-formyl-3-mercapto-;(2S)-2-formamido-3-methyl-3-sulfanylbutanoic acid;13833-89-1;N-formyl-d-penicillamine;Formylpenicillamine;n-formylpenicillamine;UNII-6JX9PQK9DG;6JX9PQK9DG;N-Formyl-3-mercapto-D-valine;DTXSID30333454;ZINC4558437;Piperacillin sodium impurity I [EP];Valine, N-formyl-3-mercapto-, (+)-
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CAS No:
(2S)-2-formamido-3-methyl-3-sulfanylbutanoic acid Basic Attributes
177.22 g/mol
177.04596439 g/mol
6JX9PQK9DG
DTXSID30333454
Computed Properties
Molecular Weight:177.22
XLogP3:0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:177.04596439
Monoisotopic Mass:177.04596439
Topological Polar Surface Area:67.4
Heavy Atom Count:11
Complexity:169
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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