methyl (2S)-4-methylsulfanyl-2-(2-propylpentanoylamino)butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-(2-propylpentanoylamino)butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-(2-propylpentanoylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[(1-oxo-2-propylpentyl)amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-(2-propylpentanoylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(2-propylpentanoylamino)butyric acid methyl ester Formula: C14H27NO3S MolecularWeight: 289.43408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(CCC)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C14H27NO3S/c1-5-7-11(8-6-2)13(16)15-12(9-10-19-4)14(17)18-3/h11-12H,5-10H2,1-4H3,(H,15,16)/t12-/m0/s1