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Home > Encyclopedia > (2S,3S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid

(2S,3S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid

(2S,3S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid structure

(2S,3S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid 

structure
  • CAS No:

    177785-47-6

  • Formula:

    C13H15NO3S

  • Chemical Name:

    (2S,3S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid

  • Synonyms:

    3-methyl-2-(3-oxo-3H-benz(d)isothiazol-2-yl)pentanoic acid;CMBB-BIT;N-(1-carboxy-2-methylbutyl)benzisothiazolone;PD 161374;PD-161374;PharmaGSID_47261;177785-47-6;PD-161374;UNII-103QB0867Q;103QB0867Q;(2S,3S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid;DSSTox_CID_27261;DSSTox_RID_82218;DSSTox_GSID_47261;SCHEMBL6228388;CHEMBL3184093;DTXSID3047261;ZINC21104;Tox21_300428;1,2-Benzisothiazole-2(3H)-aceticacid, a-[(1S)-1-methylpropyl]-3-oxo-, (aS)-;NCGC00248030-01;NCGC00254439-01;PD161374;CAS-177785-47-6;3-methyl-2-(3-oxo-3H-benz(d)isothiazol-2-yl)pentanoic acid;3(S)-Methyl-2(S)-(1-oxo(3-thiaisoindolin-2-yl))pentanoic acid;(2S,3S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2(3H)-yl)pentanoic acid;1,2-Benzisothiazole-2(3H)-acetic acid, alpha-((1S)-1-methylpropyl)-3-oxo-, (alphaS)-;a-(1-Methylpropyl)-3-oxo-1,2-benzoisothiazole-2(3H)-acetic acid, S-(R*,R*)

(2S,3S)-3-methyl-2-(3-oxo-1,2-benzothiazol-2-yl)pentanoic acid Basic Attributes

265.33 g/mol

265.07726451 g/mol

103QB0867Q

DTXSID3047261

Characteristics

82.9 Ų

Drug Information

3-methyl-2-(3-oxo-3H-benz(d)isothiazol-2-yl)pentanoic acid

Computed Properties

Molecular Weight:265.33
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:265.07726451
Monoisotopic Mass:265.07726451
Topological Polar Surface Area:82.9
Heavy Atom Count:18
Complexity:347
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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