1-[2-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethyl]-1-prop-2-ynyl-benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]ethyl]-1-prop-2-ynyl-benzimidazol-5-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[2-[(4-hydroxy-4-oxo-butanoyl)amino]ethyl]-1-prop-2-ynyl-benzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-[2-[(4-hydroxy-1,4-dioxobutyl)amino]ethyl]-1-prop-2-ynyl-5-benzimidazolyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[2-[(4-hydroxy-4-oxobutanoyl)amino]ethyl]-1-prop-2-ynylbenzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[2-[(4-hydroxy-4-keto-butanoyl)amino]ethyl]-1-propargyl-benzimidazole-5-carbonyl]proline Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)C(=O)N3CCCC3C(=O)O)N=C1CCNC(=O)CCC(=O)O

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)C(=O)N3CCCC3C(=O)O)N=C1CCNC(=O)CCC(=O)O

InChI

InChI=1S/C22H24N4O6/c1-2-11-25-16-6-5-14(21(30)26-12-3-4-17(26)22(31)32)13-15(16)24-18(25)9-10-23-19(27)7-8-20(28)29/h1,5-6,13,17H,3-4,7-12H2,(H,23,27)(H,28,29)(H,31,32)