L-Methionyl-L-Alanylglycyl-L-Prolyl-L-Histidyl-L-Prolyl-L-Valyl-L-Isoleucyl-L-Valyl-L-Isoleucyl-L-Threonylglycyl-L-Prolyl-L-Histidyl-L-alpha-Glutamyl-L-Glutamic Acid
[CAS# 249537-73-3]

Identification

• Name: L-Methionyl-L-Alanylglycyl-L-Prolyl-L-Histidyl-L-Prolyl-L-Valyl-L-Isoleucyl-L-Valyl-L-Isoleucyl-L-Threonylglycyl-L-Prolyl-L-Histidyl-L-alpha-Glutamyl-L-Glutamic Acid
• Synonyms: H-MET-ALA-GLY-PRO-HIS-PRO-VAL-ILE-VAL-ILE-THR-GLY-PRO-HIS-GLU-GLU-OH; NFAT Inhibitor; VIVIT peptide
• Molecular Formula: C₇₅H₁₁₇N₂₀O₂₂S
• Molecular Weight: 1683.93
• CAS Registry Number: 249537-73-3
• SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC4=CNC=N4)NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCSC)N
• InChI: 1S/C75H118N20O22S/c1-12-39(7)59(90-70(111)57(37(3)4)88-68(109)52-19-16-27-95(52)74(115)49(30-44-32-78-36-82-44)87-67(108)51-18-15-26-94(51)53(97)33-79-62(103)41(9)83-63(104)45(76)24-28-118-11)72(113)89-58(38(5)6)71(112)91-60(40(8)13-2)73(114)92-61(42(10)96)69(110)80-34-54(98)93-25-14-17-50(93)66(107)86-48(29-43-31-77-35-81-43)65(106)84-46(20-22-55(99)100)64(105)85-47(75(116)117)21-23-56(101)102/h31-32,35-42,45-52,57-61,96H,12-30,33-34,76H2,1-11H3,(H,77,81)(H,78,82)(H,79,103)(H,80,110)(H,83,104)(H,84,106)(H,85,105)(H,86,107)(H,87,108)(H,88,109)(H,89,113)(H,90,111)(H,91,112)(H,92,114)(H,99,100)(H,101,102)(H,116,117)/t39-,40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-,59-,60-,61-/m0/s1
• InChIKey: QPMHUXBSHGAVGD-MCDIZDEASA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 1982.4±65.0°C at 760 mmHg (Cal.)
• Flash point: 1152.7±34.3°C (Cal.)
• Refractive index: 1.58 (Cal.)
• solubility: Soluble to 2 mg/ml in 20% acetonitrile - 0.1% acetic acid