2-acetamido-3-[2,5-bis(oxidanylidene)-1-(4-phenylphenyl)pyrrolidin-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[2,5-bis(oxidanylidene)-1-(4-phenylphenyl)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[2,5-dioxo-1-(4-phenylphenyl)pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[2,5-dioxo-1-(4-phenylphenyl)-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[2,5-dioxo-1-(4-phenylphenyl)pyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[2,5-diketo-1-(4-phenylphenyl)pyrrolidin-3-yl]thio]propionic acid Formula: C21H20N2O5S MolecularWeight: 412.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1CC(=O)N(C1=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c1-13(24)22-17(21(27)28)12-29-18-11-19(25)23(20(18)26)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-18H,11-12H2,1H3,(H,22,24)(H,27,28)