3-methyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]pentanoic acid

Systemtic Name: 3-methyl-2-[2-(thiophen-2-ylmethylsulfanyl)ethanoylamino]pentanoic acid Openeye Name: 3-methyl-2-[[2-(2-thienylmethylsulfanyl)acetyl]amino]pentanoic acid CAS Name: 3-methyl-2-[[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pentanoic acid Traditional Name: 3-methyl-2-[[2-(2-thenylthio)acetyl]amino]valeric acid Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CSCC1=CC=CS1

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSCC1=CC=CS1

InChI

InChI=1S/C13H19NO3S2/c1-3-9(2)12(13(16)17)14-11(15)8-18-7-10-5-4-6-19-10/h4-6,9,12H,3,7-8H2,1-2H3,(H,14,15)(H,16,17)