(2S)-1-[2-(phenoxathiin-4-ylcarbonylamino)ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-(phenoxathiin-4-ylcarbonylamino)ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-(phenoxathiine-4-carbonylamino)acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[1-oxo-2-[[oxo(4-phenoxathiinyl)methyl]amino]ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(phenoxathiine-4-carbonylamino)acetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-(phenoxathiine-4-carbonylamino)acetyl]proline Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)C2=C3C(=CC=C2)SC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)C2=C3C(=CC=C2)SC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C20H18N2O5S/c23-17(22-10-4-6-13(22)20(25)26)11-21-19(24)12-5-3-9-16-18(12)27-14-7-1-2-8-15(14)28-16/h1-3,5,7-9,13H,4,6,10-11H2,(H,21,24)(H,25,26)/t13-/m0/s1