(3aS-(3aalpha,4beta,5alpha,6aalpha))-Hexahydro-N-(2-((3-(4-Hydroxy-3-(Iodo-125I)Phenyl)-1-Oxopropyl)Amino)Ethyl)-2-Oxo-1H-Thieno(3,4-d)Imidazole-4-Pentanamide 5-Oxide
[CAS# 129244-73-1]

Identification

• Name: (3aS-(3aalpha,4beta,5alpha,6aalpha))-Hexahydro-N-(2-((3-(4-Hydroxy-3-(Iodo-125I)Phenyl)-1-Oxopropyl)Amino)Ethyl)-2-Oxo-1H-Thieno(3,4-d)Imidazole-4-Pentanamide 5-Oxide
• Synonyms: 1H-Thieno(3,4-D)Imidazole-4-Pentanamide, Hexahydro-N-(2-((3-(4-Hydroxy-3-(Iodo-125I)Phenyl)-1-Oxopropyl)Amino)Ethyl)-2-Oxo-, 5-Oxide, (3As-(3Aalpha,4Beta,5Alpha,6Aalpha))-; Baehppas; Biotinylamidoethyl-3-(4-Hydroxy-3-Iodo-Phenyl)Propionamide Alp0ha Sulfoxide
• Molecular Formula: C₂₁H₂₉IN₄O₅S
• Molecular Weight: 576.45
• CAS Registry Number: 129244-73-1 (129312-14-7)
• SMILES: [C@H]1([S](C[C@H]2[C@@H]1NC(N2)=O)=O)CCCCC(NCCNC(CCC3=CC=C(C(=C3)[125I])O)=O)=O
• InChI: 1S/C21H29IN4O5S/c22-14-11-13(5-7-16(14)27)6-8-19(29)24-10-9-23-18(28)4-2-1-3-17-20-15(12-32(17)31)25-21(30)26-20/h5,7,11,15,17,20,27H,1-4,6,8-10,12H2,(H,23,28)(H,24,29)(H2,25,26,30)/t15-,17-,20-,32?/m0/s1/i22-2
• InChIKey: MCAUSUVACKMLDN-PLXYZFCOSA-N

Properties

• Density: 1.662g/cm³ (Cal.)