(3S)-3-[[[(2S)-2-azanyl-3-methyl-3-sulfanyl-butanoyl]amino]methyl]-5-methyl-hexanoic acid

Systemtic Name: (3S)-3-[[[(2S)-2-azanyl-3-methyl-3-sulfanyl-butanoyl]amino]methyl]-5-methyl-hexanoic acid Openeye Name: (3S)-3-[[[(2S)-2-amino-3-methyl-3-sulfanyl-butanoyl]amino]methyl]-5-methyl-hexanoic acid CAS Name: (3S)-3-[[[(2S)-2-amino-3-mercapto-3-methyl-1-oxobutyl]amino]methyl]-5-methylhexanoic acid IUPAC Name: (3S)-3-[[[(2S)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]methyl]-5-methylhexanoic acid Traditional Name: (3S)-3-[[[(2S)-2-amino-3-mercapto-3-methyl-butanoyl]amino]methyl]-5-methyl-hexanoic acid Formula: C13H26N2O3S MolecularWeight: 290.42214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)C(C(C)(C)S)N

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O3S/c1-8(2)5-9(6-10(16)17)7-15-12(18)11(14)13(3,4)19/h8-9,11,19H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)/t9-,11-/m0/s1