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(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(nitrososulfanyl)ethyl]carbamoyl}butanoic acid
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ChemBase ID:
133964
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Molecular Formular:
C10H16N4O7S
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Molecular Mass:
336.32164
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Monoisotopic Mass:
336.07396987
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SMILES and InChIs
SMILES:
C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
Canonical SMILES:
O=NSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI:
InChI=1S/C10H16N4O7S/c11-5(10(19)20)1-2-7(15)13-6(4-22-14-21)9(18)12-3-8(16)17/h5-6H,1-4,11H2,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t5-,6-/m0/s1
InChIKey:
HYHSBSXUHZOYLX-WDSKDSINSA-N
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Cite this record
CBID:133964 http://www.chembase.cn/molecule-133964.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2S)-2-amino-4-{[(1R)-1-[(carboxymethyl)carbamoyl]-2-(nitrososulfanyl)ethyl]carbamoyl}butanoic acid
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IUPAC Traditional name
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Synonyms
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GSNO
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SNOG
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S-Nitrosoglutathione
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L-γ-Glutamyl-S-nitroso-L-cysteinyl-glycine
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GNSO
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RVC 588
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S-Nitroso-L-glutathione
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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1.6027608
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H Acceptors
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9
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H Donor
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5
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LogD (pH = 5.5)
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-6.7549415
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LogD (pH = 7.4)
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-7.9891505
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Log P
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-4.687954
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Molar Refractivity
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74.4843 cm3
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Polarizability
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28.737278 Å3
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Polar Surface Area
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188.25 Å2
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Rotatable Bonds
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11
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
TRC
Sigma Aldrich -
N4148
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Biochem/physiol Actions NO donor in vivo, smooth muscle relaxant, vasodilator, inhibits platelet activation. |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Thompson, C., et al.: Toxicol., App. Pharmacol., 233, 355 (2008)
- • Bateman, R., et al.: J. Biol. Chem., 283, 35756 (2008)
- • Foster, M., et al.: Biochem., 48, 792 (2008)
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PATENTS
PATENTS
PubChem Patent
Google Patent