Biotinylamidoethyl-3-(3,5-diiodo-4-hydroxyphenyl)propionamide
[CAS# 111790-42-2]

Identification

• Name: Biotinylamidoethyl-3-(3,5-diiodo-4-hydroxyphenyl)propionamide
• Synonyms: 5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-[2-[3-(4-Hydroxy-3,5-Diiodo-Phenyl)Propanoylamino]Ethyl]Pentanamide; 5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-[2-[[3-(4-Hydroxy-3,5-Diiodophenyl)-1-Oxopropyl]Amino]Ethyl]Pentanamide; 5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-[2-[3-(4-Hydroxy-3,5-Diiodo-Phenyl)Propanoylamino]Ethyl]Valeramide
• Molecular Formula: C₂₁H₂₈I₂N₄O₄S
• Molecular Weight: 686.35
• CAS Registry Number: 111790-42-2
• SMILES: [C@H]1(SC[C@H]2[C@@H]1NC(N2)=O)CCCCC(NCCNC(CCC3=CC(=C(C(=C3)I)O)I)=O)=O
• InChI: 1S/C21H28I2N4O4S/c22-13-9-12(10-14(23)20(13)30)5-6-18(29)25-8-7-24-17(28)4-2-1-3-16-19-15(11-32-16)26-21(31)27-19/h9-10,15-16,19,30H,1-8,11H2,(H,24,28)(H,25,29)(H2,26,27,31)/t15-,16-,19-/m0/s1
• InChIKey: ZADYZPFVEWLGRJ-BXWFABGCSA-N

Properties

• Density: 1.734g/cm³ (Cal.)
• Boiling point: 857.3°C at 760 mmHg (Cal.)
• Flash point: 472.278°C (Cal.)