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

Systemtic Name: 4-methylsulfanyl-2-[2-(thiophen-2-ylcarbonylamino)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[2-(thiophene-2-carbonylamino)propanoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[2-(2-thenoylamino)propanoylamino]butyric acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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