(2S)-2-azanyl-3-methyl-butanoic acid; (2S)-3-methyl-2-(2-sulfanylpropanoylamino)butanoic acid

Systemtic Name: (2S)-2-azanyl-3-methyl-butanoic acid; (2S)-3-methyl-2-(2-sulfanylpropanoylamino)butanoic acid Openeye Name: (2S)-2-amino-3-methyl-butanoic acid; (2S)-3-methyl-2-(2-sulfanylpropanoylamino)butanoic acid CAS Name: (2S)-2-amino-3-methylbutanoic acid; (2S)-2-[(2-mercapto-1-oxopropyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-amino-3-methylbutanoic acid; (2S)-3-methyl-2-(2-sulfanylpropanoylamino)butanoic acid Traditional Name: (2S)-2-amino-3-methyl-butyric acid; (2S)-2-(2-mercaptopropanoylamino)-3-methyl-butyric acid Formula: C13H26N2O5S MolecularWeight: 322.42094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N.CC(C)C(C(=O)O)NC(=O)C(C)S

Isomeric SMILES

CC(C)[C@@H](C(=O)O)N.CC(C)[C@@H](C(=O)O)NC(=O)C(C)S

InChI

InChI=1S/C8H15NO3S.C5H11NO2/c1-4(2)6(8(11)12)9-7(10)5(3)13;1-3(2)4(6)5(7)8/h4-6,13H,1-3H3,(H,9,10)(H,11,12);3-4H,6H2,1-2H3,(H,7,8)/t5?,6-;4-/m00/s1