4-methylsulfanyl-2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(2-thenoylamino)acetyl]amino]butyric acid Formula: C12H16N2O4S2 MolecularWeight: 316.39644

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CNC(=O)C1=CC=CS1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CNC(=O)C1=CC=CS1

InChI

InChI=1S/C12H16N2O4S2/c1-19-6-4-8(12(17)18)14-10(15)7-13-11(16)9-3-2-5-20-9/h2-3,5,8H,4,6-7H2,1H3,(H,13,16)(H,14,15)(H,17,18)