4-[[6-[5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]Pentanoylamino]-1-Hydroxy-1-Oxohexan-2-Yl]Carbamoyl]Benzenediazonium Chloride
[CAS# 105319-12-8]

Identification

• Name: 4-[[6-[5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]Pentanoylamino]-1-Hydroxy-1-Oxohexan-2-Yl]Carbamoyl]Benzenediazonium Chloride
• Synonyms: 4-[[5-[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]-1-Carboxy-Pentyl]Carbamoyl]Benzenediazonium Chloride; 4-[[[5-[[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-1-Oxopentyl]Amino]-1-Carboxypentyl]Amino]-Oxomethyl]Benzenediazonium Chloride; 4-[[5-[5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]-1-Carboxy-Pentyl]Carbamoyl]Benzenediazonium Chloride
• Molecular Formula: C₂₃H₃₁ClN₆O₅S
• Molecular Weight: 539.05
• CAS Registry Number: 105319-12-8
• SMILES: [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)NCCCCC(NC(=O)C3=CC=C([N+]#N)C=C3)C(O)=O.[Cl-]
• 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
• InChIKey: FNYYDRRCUPHASE-WXAMSNGASA-N