L-Threonyl-L-Arginyl-L-alpha-Aspartyl-L-Isoleucyl-L-Tyrosyl-L-alpha-Glutamyl-L-Threonyl-L-alpha-Aspartyl-L-Tyrosyl-L-Tyrosyl-L-Arginyl-L-Lysine
[CAS# 104077-19-2]

Identification

• Name: L-Threonyl-L-Arginyl-L-alpha-Aspartyl-L-Isoleucyl-L-Tyrosyl-L-alpha-Glutamyl-L-Threonyl-L-alpha-Aspartyl-L-Tyrosyl-L-Tyrosyl-L-Arginyl-L-Lysine
• Synonyms: L-Lysine, L-threonyl-L-arginyl-L-α-aspartyl-L-isoleucyl-L-tyrosyl-L-α-glutamyl-L-threonyl-L-α-aspartyl-L-tyrosyl-L-tyrosyl-L-arginyl-; L-Threonyl-L-arginyl-L-α-asparagyl-L-isoleucyl-L-tyrosyl-L-α-glutamyl-L-threonyl-L-α-asparagyl-L-tyrosyl-L-tyrosyl-L-arginyl-L-lysin
• Molecular Formula: C₇₂H₁₀₇N₁₉O₂₄
• Molecular Weight: 1622.73
• CAS Registry Number: 104077-19-2
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)N
• InChI: 1S/C72H107N19O24/c1-5-35(2)57(90-66(110)52(34-55(101)102)87-60(104)45(12-9-29-80-72(77)78)83-67(111)56(74)36(3)92)68(112)88-50(32-40-17-23-43(96)24-18-40)63(107)82-46(25-26-53(97)98)61(105)91-58(37(4)93)69(113)89-51(33-54(99)100)65(109)86-49(31-39-15-21-42(95)22-16-39)64(108)85-48(30-38-13-19-41(94)20-14-38)62(106)81-44(11-8-28-79-71(75)76)59(103)84-47(70(114)115)10-6-7-27-73/h13-24,35-37,44-52,56-58,92-96H,5-12,25-34,73-74H2,1-4H3,(H,81,106)(H,82,107)(H,83,111)(H,84,103)(H,85,108)(H,86,109)(H,87,104)(H,88,112)(H,89,113)(H,90,110)(H,91,105)(H,97,98)(H,99,100)(H,101,102)(H,114,115)(H4,75,76,79)(H4,77,78,80)/t35-,36+,37+,44-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-,58-/m0/s1
• InChIKey: GRVRFEYGHPJNDJ-NADIXBDMSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Refractive index: 1.665 (Cal.)