(Z,3R)-3-[[(2R)-2-[5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]Pentanoylamino]-3-Phenylpropanoyl]Amino]-1-Diazoniobut-1-En-2-Olate
[CAS 127678-91-5]

Identification

• Name: (Z,3R)-3-[[(2R)-2-[5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]Pentanoylamino]-3-Phenylpropanoyl]Amino]-1-Diazoniobut-1-En-2-Olate
• Synonyms: (Z,3R)-3-[[(2R)-2-[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]-3-Phenyl-Propanoyl]Amino]-1-Diazonio-But-1-En-2-Olate; (Z,3R)-3-[[(2R)-2-[[5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-1-Oxopentyl]Amino]-1-Oxo-3-Phenylpropyl]Amino]-1-Diazoniobut-1-En-2-Olate; (Z,3R)-3-[[(2R)-2-[5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]Pentanoylamino]-3-Phenyl-Propanoyl]Amino]-1-Diazonio-But-1-En-2-Olate
• Molecular Formula: C₂₃H₃₀N₆O₄S
• Molecular Weight: 486.59
• CAS Registry Number: 127678-91-5
• SMILES: [C@@H]12[C@@H](NC(N1)=O)CS[C@H]2CCCCC(N[C@@H](C(=O)N[C@H](C)C(=O)C=[N+]=[N-])CC3=CC=CC=C3)=O
• InChI: 1S/C23H30N6O4S/c1-14(18(30)12-25-24)26-22(32)16(11-15-7-3-2-4-8-15)27-20(31)10-6-5-9-19-21-17(13-34-19)28-23(33)29-21/h2-4,7-8,12,14,16-17,19,21H,5-6,9-11,13H2,1H3,(H,26,32)(H,27,31)(H2,28,29,33)/t14-,16-,17+,19+,21+/m1/s1
• InChIKey: CHHNGSROQKUSBK-ISXKRXIRSA-N