[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate

C10H20N2O6S2Se — CID 141025878

IUPAC[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate
SMILESCSCC[C@H](NO)C(=O)O[Se]OC(=O)[C@H](CCSC)NO
InChIInChI=1S/C10H20N2O6S2Se/c1-19-5-3-7(11-15)9(13)17-21-18-10(14)8(12-16)4-6-20-2/h7-8,11-12,15-16H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyYZHSESQTIIPYNE-YUMQZZPRSA-N
MW407.37 g/mol
LogP-0.19
Rot. Bonds12

About [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate

[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate (PubChem CID 141025878) has the molecular formula C10H20N2O6S2Se and a molecular weight of 407.37 g/mol. Its IUPAC name is [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate
PubChem CID141025878
Molecular FormulaC10H20N2O6S2Se
Molecular Weight407.37 g/mol
Exact Mass407.99
IUPAC Name[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate
SMILESCSCC[C@H](NO)C(=O)O[Se]OC(=O)[C@H](CCSC)NO
InChIInChI=1S/C10H20N2O6S2Se/c1-19-5-3-7(11-15)9(13)17-21-18-10(14)8(12-16)4-6-20-2/h7-8,11-12,15-16H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyYZHSESQTIIPYNE-YUMQZZPRSA-N
XLogP-0.19
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate with MolForge

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Related Compounds

2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
CID 174611803
magnesium bis((2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate)
CID 141025880
methyl 2-(methylamino)-4-methylsulfanylbutanoate
CID 23436119
(3S)-3-(2,2-dimethylhydrazinyl)-5-methylsulfanylpentan-2-one
CID 159990263
(2S)-2-(hydroperoxyamino)-4-methylsulfanylbutanoic acid
CID 87269136
tricalcium;2-(hydroxyamino)-4-methylsulfanylbutanoic acid;diphosphate
CID 175160326
methyl 4-methylsulfanyl-2-(propanoylamino)butanoate
CID 21476824
(2R)-2-acetamido-4-methylsulfanylbutanoic acid
CID 6991987
[(2S)-2-acetamido-4-methylsulfanylbutanoyl] (2S)-2-amino-4-methylsulfanylbutanoate
CID 57148459
2-methylpropyl N-(1-methylsulfanyl-4-oxopentan-3-yl)carbamate
CID 122432676
4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide
CID 23177233
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate?
The IUPAC name of [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate (CID 141025878) is [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate.
What is the SMILES notation for [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate?
The canonical SMILES for [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate is CSCC[C@H](NO)C(=O)O[Se]OC(=O)[C@H](CCSC)NO.
What is the InChIKey of [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate?
The InChIKey is YZHSESQTIIPYNE-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H20N2O6S2Se/c1-19-5-3-7(11-15)9(13)17-21-18-10(14)8(12-16)4-6-20-2/h7-8,11-12,15-16H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate?
[(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate has a molecular weight of 407.37 g/mol, XLogP of -0.19, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxyamino)-4-methylsulfanylbutanoyl]oxyselanyl (2S)-2-(hydroxyamino)-4-methylsulfanylbutanoate is sourced from PubChem (CID 141025878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).