2-[phenyl-[2-[phenyl(2-sulfanylethanoyl)amino]propanoyl]amino]propanoic acid

Systemtic Name: 2-[phenyl-[2-[phenyl(2-sulfanylethanoyl)amino]propanoyl]amino]propanoic acid Openeye Name: 2-[N-[2-(N-(2-sulfanylacetyl)anilino)propanoyl]anilino]propanoic acid CAS Name: 2-(N-[2-(N-(2-mercapto-1-oxoethyl)anilino)-1-oxopropyl]anilino)propanoic acid IUPAC Name: 2-[N-[2-(N-(2-sulfanylacetyl)anilino)propanoyl]anilino]propanoic acid Traditional Name: 2-[N-[2-(N-(2-mercaptoacetyl)anilino)propanoyl]anilino]propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C1=CC=CC=C1)C(C)C(=O)O)N(C2=CC=CC=C2)C(=O)CS

Isomeric SMILES

CC(C(=O)N(C1=CC=CC=C1)C(C)C(=O)O)N(C2=CC=CC=C2)C(=O)CS

InChI

InChI=1S/C20H22N2O4S/c1-14(21(18(23)13-27)16-9-5-3-6-10-16)19(24)22(15(2)20(25)26)17-11-7-4-8-12-17/h3-12,14-15,27H,13H2,1-2H3,(H,25,26)