2-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]pentanoic acid

Systemtic Name: 2-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]pentanoic acid Openeye Name: 2-methyl-2-[3-[(2-methylthiazol-4-yl)methylsulfanyl]propanoylamino]pentanoic acid CAS Name: 2-methyl-2-[[3-[(2-methyl-4-thiazolyl)methylthio]-1-oxopropyl]amino]pentanoic acid IUPAC Name: 2-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanoylamino]pentanoic acid Traditional Name: 2-methyl-2-[3-[(2-methylthiazol-4-yl)methylthio]propanoylamino]valeric acid Formula: C14H22N2O3S2 MolecularWeight: 330.46608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)O)NC(=O)CCSCC1=CSC(=N1)C

Isomeric SMILES

CCCC(C)(C(=O)O)NC(=O)CCSCC1=CSC(=N1)C

InChI

InChI=1S/C14H22N2O3S2/c1-4-6-14(3,13(18)19)16-12(17)5-7-20-8-11-9-21-10(2)15-11/h9H,4-8H2,1-3H3,(H,16,17)(H,18,19)