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21752-32-9 molecular structure
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(2S)-2-amino-4-[(S)-imino(methyl)oxo-λ6-sulfanyl]butanoic acid

ChemBase ID: 172855
Molecular Formular: C5H12N2O3S
Molecular Mass: 180.22538
Monoisotopic Mass: 180.05686325
SMILES and InChIs

SMILES:
[S@@](=N)(=O)(CC[C@H](N)C(=O)O)C
Canonical SMILES:
OC(=O)[C@H](CC[S@](=O)(=N)C)N
InChI:
InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)/t4-,11-/m0/s1
InChIKey:
SXTAYKAGBXMACB-AUIPBDMJSA-N

Cite this record

CBID:172855 http://www.chembase.cn/molecule-172855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-4-[(S)-imino(methyl)oxo-λ6-sulfanyl]butanoic acid
IUPAC Traditional name
2S,5S-methionine sulfoximine
Synonyms
(2S)-2-Amino-4-[[S(S)]-S-methylsulfonimidoyl]butanoic Acid
[S-(R*,R*)]-2-Amino-4-(S-methylsulfonimidoyl)butanoic Acid
(S)-L-S-(3-amino-3-carboxypropyl)-S-methylsulfoximine
L-Methionine [S]-Sulfoximine
CAS Number
21752-32-9
PubChem SID
164228765
PubChem CID
24755488

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M260510 external link Add to cart
PubChem 24755488 external link
Data Source Data ID Price
TRC
M260510 external link Add to cart Please log in.
Data Source Data ID
PubChem 24755488 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8865596  H Acceptors
H Donor LogD (pH = 5.5) -4.447861 
LogD (pH = 7.4) -4.453787  Log P -4.446533 
Molar Refractivity 40.2168 cm3 Polarizability 16.919283 Å3
Polar Surface Area 104.24 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
218-226°C (dec.) expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M260510 external link
It is the diastereoisomer of L-Methionine [R,S]-Sulfoximine (M260500) that inhibits glutamine synthetase.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Wilson, J., et al.: J. Exp. Biol., 203, 2297 (2000)
  • • Ip, Y., et al.: J. Exp. Biol., 208, 1993 (2000)
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PATENTS

PATENTS

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INTERNET

INTERNET

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