3-methyl-2-[[4-methylsulfanyl-2-(propanoylamino)butanoyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[4-methylsulfanyl-2-(propanoylamino)butanoyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[4-methylsulfanyl-2-(propanoylamino)butanoyl]amino]butanoic acid CAS Name: 3-methyl-2-[[4-(methylthio)-1-oxo-2-(1-oxopropylamino)butyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[4-methylsulfanyl-2-(propanoylamino)butanoyl]amino]butanoic acid Traditional Name: 3-methyl-2-[[4-(methylthio)-2-propionamido-butanoyl]amino]butyric acid Formula: C13H24N2O4S MolecularWeight: 304.40566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CCC(=O)NC(CCSC)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C13H24N2O4S/c1-5-10(16)14-9(6-7-20-4)12(17)15-11(8(2)3)13(18)19/h8-9,11H,5-7H2,1-4H3,(H,14,16)(H,15,17)(H,18,19)