Renin Fret Substrate I
[CAS# 142988-22-5]

Identification

• Name: Renin Fret Substrate I
• Synonyms: 4-(4-dimethylaminophenylazo)benzoyl-4-aminobutanoyl-isoleucyl-histidyl-prolyl-phenylalanyl-histidyl-leucyl-valyl-isoleucyl-histidyl-threonyl-5-((2-aminoethyl)amino)naphthalene-1-sulfonic acid
• Molecular Formula: C₉₀H₁₂₀N₂₂O₁₆S
• Molecular Weight: 1798.12
• CAS Registry Number: 142988-22-5
• SMILES: CCC(C)C(C(=O)NC(Cc1c[nH]cn1)C(=O)NC(C(C)O)C(=O)c2ccc3c(c2S(=O)(=O)O)cccc3NCCN)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc4c[nH]cn4)NC(=O)C(Cc5ccccc5)NC(=O)C6CCCN6C(=O)C(Cc7c[nH]cn7)NC(=O)C(C(C)CC)N(C(=O)CCCN)C(=O)c8ccc(cc8)N=Nc9ccc(cc9)N(C)C
• InChI: 1S/C90H120N22O16S/c1-12-53(7)76(87(122)103-71(43-61-46-94-49-98-61)84(119)107-77(55(9)113)79(115)66-35-34-64-65(80(66)129(126,127)128)22-17-23-67(64)96-38-37-92)106-86(121)75(52(5)6)105-83(118)68(40-51(3)4)100-82(117)70(42-60-45-93-48-97-60)101-81(116)69(41-56-20-15-14-16-21-56)102-85(120)73-24-19-39-111(73)90(125)72(44-62-47-95-50-99-62)104-88(123)78(54(8)13-2)112(74(114)25-18-36-91)89(124)57-26-28-58(29-27-57)108-109-59-30-32-63(33-31-59)110(10)11/h14-17,20-23,26-35,45-55,68-73,75-78,96,113H,12-13,18-19,24-25,36-44,91-92H2,1-11H3,(H,93,97)(H,94,98)(H,95,99)(H,100,117)(H,101,116)(H,102,120)(H,103,122)(H,104,123)(H,105,118)(H,106,121)(H,107,119)(H,126,127,128)
• InChIKey: DTHWWDLLVNPOQJ-UHFFFAOYSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Refractive index: 1.667 (Cal.)