(2S)-1-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methyl]cyclohexyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[4-[[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]methyl]cyclohexyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[4-[(2,4-diketo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]proline Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=O)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=O)C(=O)O

InChI

InChI=1S/C21H25N3O5/c25-18(23-11-3-6-17(23)20(27)28)14-9-7-13(8-10-14)12-24-19(26)15-4-1-2-5-16(15)22-21(24)29/h1-2,4-5,13-14,17H,3,6-12H2,(H,22,29)(H,27,28)/t13?,14?,17-/m0/s1