methyl (2S)-2-(3-methylbutanoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(3-methylbutanoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-(3-methylbutanoylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[(3-methyl-1-oxobutyl)amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3-methylbutanoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(isovalerylamino)-4-(methylthio)butyric acid methyl ester Formula: C11H21NO3S MolecularWeight: 247.35434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO3S/c1-8(2)7-10(13)12-9(5-6-16-4)11(14)15-3/h8-9H,5-7H2,1-4H3,(H,12,13)/t9-/m0/s1