(3S,4S)-3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-oxidanyl-4-sulfanyl-butanoic acid

Systemtic Name: (3S,4S)-3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-oxidanyl-4-sulfanyl-butanoic acid Openeye Name: (3S,4S)-3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-hydroxy-4-sulfanyl-butanoic acid CAS Name: (3S,4S)-3-[[(2S)-2-acetamido-3-methyl-1-oxobutyl]amino]-4-hydroxy-4-mercaptobutanoic acid IUPAC Name: (3S,4S)-3-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-4-hydroxy-4-sulfanylbutanoic acid Traditional Name: (3S,4S)-3-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-4-hydroxy-4-mercapto-butyric acid Formula: C11H20N2O5S MolecularWeight: 292.3519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O5S/c1-5(2)9(12-6(3)14)10(17)13-7(11(18)19)4-8(15)16/h5,7,9,11,18-19H,4H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)/t7-,9-,11-/m0/s1