5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-[4-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)-Ethylamino]Butyl]Pentanamide
[CAS# 103612-64-2]

Identification

• Name: 5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-[4-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)-Ethylamino]Butyl]Pentanamide
• Synonyms: 5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-[4-[(1,4-Dioxo-2,3-Dihydrophthalazin-6-Yl)-Ethyl-Amino]Butyl]Pentanamide; 5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-[4-[(1,4-Diketo-2,3-Dihydrophthalazin-6-Yl)-Ethyl-Amino]Butyl]Valeramide; Abei-Biotin
• Molecular Formula: C₂₄H₃₄N₆O₄S
• Molecular Weight: 502.63
• CAS Registry Number: 103612-64-2
• SMILES: [C@@H]12NC(N[C@@H]1[C@@H](SC2)CCCCC(=O)NCCCCN(C4=CC3=C(C(NNC3=O)=O)C=C4)CC)=O
• InChI: 1S/C24H34N6O4S/c1-2-30(15-9-10-16-17(13-15)23(33)29-28-22(16)32)12-6-5-11-25-20(31)8-4-3-7-19-21-18(14-35-19)26-24(34)27-21/h9-10,13,18-19,21H,2-8,11-12,14H2,1H3,(H,25,31)(H,28,32)(H,29,33)(H2,26,27,34)/t18-,19-,21-/m0/s1
• InChIKey: RDSBJKHVYBXJAU-ZJOUEHCJSA-N

Properties

• Density: 1.254g/cm³ (Cal.)