(2S)-1-[2-benzamido-2-(phenylcarbonylsulfanyl)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-benzamido-2-(phenylcarbonylsulfanyl)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-(2-benzamido-2-benzoylsulfanyl-acetyl)pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-benzamido-2-(benzoylthio)-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-(2-benzamido-2-benzoylsulfanylacetyl)pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-benzamido-2-(benzoylthio)acetyl]proline Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(NC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C(NC(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H20N2O5S/c24-17(14-8-3-1-4-9-14)22-18(29-21(28)15-10-5-2-6-11-15)19(25)23-13-7-12-16(23)20(26)27/h1-6,8-11,16,18H,7,12-13H2,(H,22,24)(H,26,27)/t16-,18?/m0/s1