(2S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]oxy-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]oxy-3-phenyl-propanoic acid Openeye Name: (2S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]oxy-3-phenyl-propanoic acid CAS Name: (2S)-2-[(2S)-3-mercapto-2-methyl-1-oxopropoxy]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[(2S)-2-methyl-3-sulfanylpropanoyl]oxy-3-phenylpropanoic acid Traditional Name: (2S)-2-[(2S)-3-mercapto-2-methyl-propanoyl]oxy-3-phenyl-propionic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)OC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

C[C@H](CS)C(=O)O[C@@H](CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C13H16O4S/c1-9(8-18)13(16)17-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)/t9-,11+/m1/s1