Compound Summary
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Compound Information
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Compound Name: | snap |
Compound CID: | 157991 |
Synonyms: | snap S-Nitroso-N-acetylpenicillamine N-Acetyl-3-(nitrosothio)-valine 273921-90-7 N-acetyl-3-(nitrosothio)-D-Valine More... |
Iupac Name: | (2R)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid |
InChI: | InChI=1S/C7H12N2O4S/c1-4(10)8-5(6(11)12)7(2,3)14-9-13/h5H,1-3H3,(H,8,10)(H,11,12)/t5-/m1/s1 |
InChIKey: | ZIIQCSMRQKCOCT-RXMQYKEDSA-N |
Canonical Smiles: | CC(=O)NC(C(=O)O)C(C)(C)SN=O |
Isomeric Smiles: | CC(=O)N[C@H](C(=O)O)C(C)(C)SN=O |
Molecular Weight: | 220.25 |
Molecular Formula: | C7H12N2O4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
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Molecular Weight: | 220.25 |
Molecular Formula: | C7H12N2O4S |
Hydrogen Bond Donor Count: | 2 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 4 |
Heavy Atom Count: | 14 |
Complexity: | 254 |
Synonyms
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| snap | snap |
|---|---|
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S-Nitroso-N-acetylpenicillamine |
N-Acetyl-3-(nitrosothio)-valine |
273921-90-7 |
N-acetyl-3-(nitrosothio)-D-Valine |
UNII-6E47VKF8B8 |
79032-48-7 |
6E47VKF8B8 |
MFCD00272624 |
N-Acetyl-3-(nitrosothio)-DL-valine |
Lopac0_000856 |
SCHEMBL220202 |
CHEMBL347940 |
s-nitroso-l-acetyl penicillamine |
(2R)-2-acetamido-3-methyl-3-nitrososulfanylbutanoic acid |
DTXSID001018088 |
HMS3262L13 |
152971-80-7 |
ZINC3793144 |
Tox21_500856 |
MFCD27928870 |
AKOS037644379 |
CCG-204939 |
LP00856 |
SDCCGSBI-0050832.P002 |
NCGC00094182-01 |
NCGC00094182-02 |
NCGC00094182-03 |
NCGC00094182-04 |
NCGC00261541-01 |
AS-52710 |
B6368 |
EU-0100856 |
N 3398 |
P15525 |
SR-01000076023 |
SR-01000076023-1 |
(R)-2-Acetamido-3-methyl-3-(nitrosothio)butanoic acid |
UNII-C4AX527AX8 component ZIIQCSMRQKCOCT-RXMQYKEDSA-N |
Experimental Data
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| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 8.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
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Statistics Data
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| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 8.000000000000000 | 1 | 1 |
Statistics Data Visualization
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