2-methyl-2-[3-(phenylcarbonylsulfanyl)propanoylamino]propanoic acid

Systemtic Name: 2-methyl-2-[3-(phenylcarbonylsulfanyl)propanoylamino]propanoic acid Openeye Name: 2-(3-benzoylsulfanylpropanoylamino)-2-methyl-propanoic acid CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]amino]-2-methylpropanoic acid IUPAC Name: 2-(3-benzoylsulfanylpropanoylamino)-2-methylpropanoic acid Traditional Name: 2-[3-(benzoylthio)propanoylamino]-2-methyl-propionic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)CCSC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)CCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C14H17NO4S/c1-14(2,13(18)19)15-11(16)8-9-20-12(17)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,15,16)(H,18,19)