methyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoylamino]propanoate CAS Name: 3-hydroxy-2-[[3-[(2-methyl-4-thiazolyl)methylthio]-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]propanoate Traditional Name: 3-hydroxy-2-[3-[(2-methylthiazol-4-yl)methylthio]propanoylamino]propionic acid methyl ester Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCCC(=O)NC(CO)C(=O)OC

Isomeric SMILES

CC1=NC(=CS1)CSCCC(=O)NC(CO)C(=O)OC

InChI

InChI=1S/C12H18N2O4S2/c1-8-13-9(7-20-8)6-19-4-3-11(16)14-10(5-15)12(17)18-2/h7,10,15H,3-6H2,1-2H3,(H,14,16)