L-Threonylglycyl-L-Tyrosyl-L-Isoleucyl-L-Lysyl-L-Threonyl-L-alpha-Glutamyl-L-Leucyl-L-Isoleucyl-L-Seryl-L-Valine
[CAS# 215923-20-9]

Identification

• Name: L-Threonylglycyl-L-Tyrosyl-L-Isoleucyl-L-Lysyl-L-Threonyl-L-alpha-Glutamyl-L-Leucyl-L-Isoleucyl-L-Seryl-L-Valine
• Synonyms: H-THR-GLY-TYR-ILE-LYS-THR-GLU-LEU-ILE-SER-VAL-OH; L-Threonylglycyl-L-tyrosyl-L-isoleucyl-L-lysyl-L-threonyl-L-α-glutamyl-L-leucyl-L-isoleucyl-L-seryl-L-valin; L-Threonylglycyl-L-tyrosyl-L-isoleucyl-L-lysyl-L-threonyl-L-α-glutamyl-L-leucyl-L-isoleucyl-L-seryl-L-valine
• Molecular Formula: C₅₆H₉₄N₁₂O₁₈
• Molecular Weight: 1223.42
• CAS Registry Number: 215923-20-9
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)N
• InChI: 1S/C56H94N12O18/c1-11-29(7)44(67-50(79)38(24-33-16-18-34(72)19-17-33)60-40(73)25-59-52(81)42(58)31(9)70)53(82)61-35(15-13-14-22-57)48(77)68-46(32(10)71)55(84)62-36(20-21-41(74)75)47(76)63-37(23-27(3)4)49(78)66-45(30(8)12-2)54(83)64-39(26-69)51(80)65-43(28(5)6)56(85)86/h16-19,27-32,35-39,42-46,69-72H,11-15,20-26,57-58H2,1-10H3,(H,59,81)(H,60,73)(H,61,82)(H,62,84)(H,63,76)(H,64,83)(H,65,80)(H,66,78)(H,67,79)(H,68,77)(H,74,75)(H,85,86)/t29-,30-,31+,32+,35-,36-,37-,38-,39-,42-,43-,44-,45-,46-/m0/s1
• InChIKey: KTUYWMXWXJIBIH-KCGLDMGFSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 1606.5±65.0°C at 760 mmHg (Cal.)
• Flash point: 925.4±34.3°C (Cal.)
• Refractive index: 1.555 (Cal.)