4-methylsulfanyl-2-[2-[methyl(thiophen-2-ylcarbonyl)amino]ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-[methyl(thiophen-2-ylcarbonyl)amino]ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]butanoic acid CAS Name: 2-[[2-[methyl-[oxo(thiophen-2-yl)methyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]butanoic acid Traditional Name: 2-[[2-[methyl(2-thenoyl)amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC(CCSC)C(=O)O)C(=O)C1=CC=CS1

Isomeric SMILES

CN(CC(=O)NC(CCSC)C(=O)O)C(=O)C1=CC=CS1

InChI

InChI=1S/C13H18N2O4S2/c1-15(12(17)10-4-3-6-21-10)8-11(16)14-9(13(18)19)5-7-20-2/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,16)(H,18,19)