1-[2-[5-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethyl]thiophen-2-yl]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[5-[2-(2-carboxypyrrolidin-1-yl)-2-oxidanylidene-ethyl]thiophen-2-yl]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[5-[2-(2-carboxypyrrolidin-1-yl)-2-oxo-ethyl]-2-thienyl]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[5-[2-(2-carboxy-1-pyrrolidinyl)-2-oxoethyl]-2-thiophenyl]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[5-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]thiophen-2-yl]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[5-[2-(2-carboxypyrrolidino)-2-keto-ethyl]-2-thienyl]acetyl]proline Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC2=CC=C(S2)CC(=O)N3CCCC3C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CC2=CC=C(S2)CC(=O)N3CCCC3C(=O)O)C(=O)O

InChI

InChI=1S/C18H22N2O6S/c21-15(19-7-1-3-13(19)17(23)24)9-11-5-6-12(27-11)10-16(22)20-8-2-4-14(20)18(25)26/h5-6,13-14H,1-4,7-10H2,(H,23,24)(H,25,26)