1-[2-[[3-(carboxymethylsulfanyl)phenyl]carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: 1-[2-[[3-(carboxymethylsulfanyl)phenyl]carbamoylamino]ethanoyl]-5-phenyl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: 1-[2-[[3-(carboxymethylsulfanyl)phenyl]carbamoylamino]acetyl]-5-phenyl-pyrrolidine-2,4-dicarboxylic acid CAS Name: 1-[2-[[[3-(carboxymethylthio)anilino]-oxomethyl]amino]-1-oxoethyl]-5-phenylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: 1-[2-[[3-(carboxymethylsulfanyl)phenyl]carbamoylamino]acetyl]-5-phenylpyrrolidine-2,4-dicarboxylic acid Traditional Name: 1-[2-[[3-(carboxymethylthio)phenyl]carbamoylamino]acetyl]-5-phenyl-pyrrolidine-2,4-dicarboxylic acid Formula: C23H23N3O8S MolecularWeight: 501.50902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N(C1C(=O)O)C(=O)CNC(=O)NC2=CC(=CC=C2)SCC(=O)O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(C(N(C1C(=O)O)C(=O)CNC(=O)NC2=CC(=CC=C2)SCC(=O)O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H23N3O8S/c27-18(11-24-23(34)25-14-7-4-8-15(9-14)35-12-19(28)29)26-17(22(32)33)10-16(21(30)31)20(26)13-5-2-1-3-6-13/h1-9,16-17,20H,10-12H2,(H,28,29)(H,30,31)(H,32,33)(H2,24,25,34)