3-methyl-2-(2-thiophen-2-ylsulfanylethanoylamino)pentanoic acid

Systemtic Name: 3-methyl-2-(2-thiophen-2-ylsulfanylethanoylamino)pentanoic acid Openeye Name: 3-methyl-2-[[2-(2-thienylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(thiophen-2-ylthio)ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(2-thiophen-2-ylsulfanylacetyl)amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(2-thienylthio)acetyl]amino]valeric acid Formula: C12H17NO3S2 MolecularWeight: 287.39828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CSC1=CC=CS1

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSC1=CC=CS1

InChI

InChI=1S/C12H17NO3S2/c1-3-8(2)11(12(15)16)13-9(14)7-18-10-5-4-6-17-10/h4-6,8,11H,3,7H2,1-2H3,(H,13,14)(H,15,16)