4-[[6-[5-[(3aS,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoyl]benzenediazonium chloride

Systemtic Name: 4-[[6-[5-[(3aS,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoyl]benzenediazonium chloride Openeye Name: 4-[[5-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-carboxy-pentyl]carbamoyl]benzenediazonium chloride CAS Name: 4-[[[6-[[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-1-hydroxy-1-oxohexan-2-yl]amino]-oxomethyl]benzenediazonium chloride IUPAC Name: 4-[[6-[5-[(3aS,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-hydroxy-1-oxohexan-2-yl]carbamoyl]benzenediazonium chloride Traditional Name: 4-[[5-[5-[(3aS,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]pentanoylamino]-1-carboxy-pentyl]carbamoyl]benzenediazonium chloride Formula: C23H31ClN6O5S MolecularWeight: 539.04744

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)NC(=O)C3=CC=C(C=C3)[N+]#N)NC(=O)N2.[Cl-]

Isomeric SMILES

C1[C@H]2[C@@H](C(S1)CCCCC(=O)NCCCCC(C(=O)O)NC(=O)C3=CC=C(C=C3)[N+]#N)NC(=O)N2.[Cl-]

InChI

InChI=1S/C23H30N6O5S.ClH/c24-29-15-10-8-14(9-11-15)21(31)26-16(22(32)33)5-3-4-12-25-19(30)7-2-1-6-18-20-17(13-35-18)27-23(34)28-20;/h8-11,16-18,20H,1-7,12-13H2,(H4-,25,26,27,28,30,31,32,33,34);1H/t16?,17-,18?,20-;/m0./s1