Biotinylamidoethyl-3-(3-Iodo-4-Hydroxyphenyl)Propionamide
[CAS# 111790-41-1]

Identification

• Name: Biotinylamidoethyl-3-(3-Iodo-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-Iodo-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-Iodophenyl)-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-Iodo-Phenyl)Propanoylamino]Ethyl]Valeramide
• Molecular Formula: C₂₁H₂₉IN₄O₄S
• Molecular Weight: 560.45
• CAS Registry Number: 111790-41-1
• SMILES: [C@H]1(SC[C@H]2[C@@H]1NC(N2)=O)CCCCC(NCCNC(CCC3=CC=C(C(=C3)I)O)=O)=O
• InChI: 1S/C21H29IN4O4S/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(12-31-17)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-/m0/s1
• InChIKey: ODFFLADJFTXWGN-KNBMTAEXSA-N

Properties

• Density: 1.5g/cm³ (Cal.)
• Boiling point: 855.779°C at 760 mmHg (Cal.)
• Flash point: 471.358°C (Cal.)