2-cyclopropyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid

Systemtic Name: 2-cyclopropyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid Openeye Name: 2-cyclopropyl-2-[3-(p-tolylsulfanyl)propanoylamino]propanoic acid CAS Name: 2-cyclopropyl-2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]propanoic acid IUPAC Name: 2-cyclopropyl-2-[3-(4-methylphenyl)sulfanylpropanoylamino]propanoic acid Traditional Name: 2-cyclopropyl-2-[3-(p-tolylthio)propanoylamino]propionic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)NC(C)(C2CC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC(C)(C2CC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-11-3-7-13(8-4-11)21-10-9-14(18)17-16(2,15(19)20)12-5-6-12/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,17,18)(H,19,20)