(2S)-2-(3-methylbutanoylamino)-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-(3-methylbutanoylamino)-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-(3-methylbutanoylamino)-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[(3-methyl-1-oxobutyl)amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-(3-methylbutanoylamino)-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-(isovalerylamino)-4-(methylthio)butyric acid Formula: C10H19NO3S MolecularWeight: 233.32776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H19NO3S/c1-7(2)6-9(12)11-8(10(13)14)4-5-15-3/h7-8H,4-6H2,1-3H3,(H,11,12)(H,13,14)/t8-/m0/s1