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4,5-dihydro-1,3-thiazol-2-ylazanium; 3-methyl-2-(propanoylamino)butanoate

4,5-dihydro-1,3-thiazol-2-ylazanium; 3-methyl-2-(propanoylamino)butanoate

Systemtic Name:4,5-dihydro-1,3-thiazol-2-ylazanium; 3-methyl-2-(propanoylamino)butanoate
Openeye Name:4,5-dihydrothiazol-2-ylammonium; 3-methyl-2-(propanoylamino)butanoate
CAS Name:4,5-dihydrothiazol-2-ylammonium; 3-methyl-2-(1-oxopropylamino)butanoate
IUPAC Name:4,5-dihydro-1,3-thiazol-2-ylazanium; 3-methyl-2-(propanoylamino)butanoate
Traditional Name:3-methyl-2-propionamido-butyrate; 2-thiazolin-2-ylammonium
Formula: C11H21N3O3S
MolecularWeight: 275.36774
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(C(C)C)C(=O)[O-].C1CSC(=N1)[NH3+]


Isomeric SMILES

CCC(=O)NC(C(C)C)C(=O)[O-].C1CSC(=N1)[NH3+]


InChI

InChI=1S/C8H15NO3.C3H6N2S/c1-4-6(10)9-7(5(2)3)8(11)12;4-3-5-1-2-6-3/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12);1-2H2,(H2,4,5)


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