5-[4-[2-(2-iodanylethanoylamino)ethylcarbamoyl]-2-oxidanylidene-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid

Systemtic Name: 5-[4-[2-(2-iodanylethanoylamino)ethylcarbamoyl]-2-oxidanylidene-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid Openeye Name: 5-[4-[2-[(2-iodoacetyl)amino]ethylcarbamoyl]-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid CAS Name: 5-[4-[[2-[(2-iodo-1-oxoethyl)amino]ethylamino]-oxomethyl]-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid IUPAC Name: 5-[4-[2-[(2-iodoacetyl)amino]ethylcarbamoyl]-2-oxo-3,3a,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid Traditional Name: 5-[4-[2-[(2-iodoacetyl)amino]ethylcarbamoyl]-2-keto-3,3a,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-4-yl]valeric acid Formula: C15H23IN4O5S MolecularWeight: 498.33639

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)(CCCCC(=O)O)C(=O)NCCNC(=O)CI)NC(=O)N2

Isomeric SMILES

C1C2C(C(S1)(CCCCC(=O)O)C(=O)NCCNC(=O)CI)NC(=O)N2

InChI

InChI=1S/C15H23IN4O5S/c16-7-10(21)17-5-6-18-13(24)15(4-2-1-3-11(22)23)12-9(8-26-15)19-14(25)20-12/h9,12H,1-8H2,(H,17,21)(H,18,24)(H,22,23)(H2,19,20,25)