4-(1,3-dithiolan-2-yl)-1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(1,3-dithiolan-2-yl)-1-[2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-4-(1,3-dithiolan-2-yl)pyrrolidine-2-carboxylic acid CAS Name: 4-(1,3-dithiolan-2-yl)-1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-dithiolan-2-yl)-1-[2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1-carboxy-3-phenyl-propyl)amino]propanoyl]-4-(1,3-dithiolan-2-yl)proline Formula: C21H28N2O5S2 MolecularWeight: 452.58742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(CC1C(=O)O)C2SCCS2)NC(CCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C(=O)N1CC(CC1C(=O)O)C2SCCS2)NC(CCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H28N2O5S2/c1-13(22-16(19(25)26)8-7-14-5-3-2-4-6-14)18(24)23-12-15(11-17(23)20(27)28)21-29-9-10-30-21/h2-6,13,15-17,21-22H,7-12H2,1H3,(H,25,26)(H,27,28)