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

Systemtic Name: 4-(1,3-dithiolan-2-yl)-1-[2-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 4-(1,3-dithiolan-2-yl)-1-[2-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]propanoyl]pyrrolidine-2-carboxylic acid CAS Name: 4-(1,3-dithiolan-2-yl)-1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(1,3-dithiolan-2-yl)-1-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1-carbethoxy-3-phenyl-propyl)amino]propanoyl]-4-(1,3-dithiolan-2-yl)proline Formula: C23H32N2O5S2 MolecularWeight: 480.64058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)C3SCCS3

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC(CC2C(=O)O)C3SCCS3

InChI

InChI=1S/C23H32N2O5S2/c1-3-30-22(29)18(10-9-16-7-5-4-6-8-16)24-15(2)20(26)25-14-17(13-19(25)21(27)28)23-31-11-12-32-23/h4-8,15,17-19,23-24H,3,9-14H2,1-2H3,(H,27,28)