2-acetamido-5-methyl-5-(phenylmethylsulfanyl)hexanoic acid

Systemtic Name: 2-acetamido-5-methyl-5-(phenylmethylsulfanyl)hexanoic acid Openeye Name: 2-acetamido-5-benzylsulfanyl-5-methyl-hexanoic acid CAS Name: 2-acetamido-5-methyl-5-(phenylmethylthio)hexanoic acid IUPAC Name: 2-acetamido-5-benzylsulfanyl-5-methylhexanoic acid Traditional Name: 2-acetamido-5-(benzylthio)-5-methyl-hexanoic acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(C)(C)SCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)NC(CCC(C)(C)SCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-12(18)17-14(15(19)20)9-10-16(2,3)21-11-13-7-5-4-6-8-13/h4-8,14H,9-11H2,1-3H3,(H,17,18)(H,19,20)