2-Tyrosine-alpha-Msh
[CAS# 75487-36-4]

Identification

• Name: 2-Tyrosine-alpha-Msh
• Synonyms: 3,5-Ditritiotyr(2)-Alpha-Msh; Msh, 2-Tyr-Alpha-; Msh, 2-Tyrosine-Alpha-
• Molecular Formula: C₇₇H₁₀₉N₂₁O₁₉S
• Molecular Weight: 1664.90
• CAS Registry Number: 75487-36-4
• SMILES: [C@@H](CC1=C[NH]C2=C1C=CC=C2)(NC([C@@H](NC([C@H](CC3=CC=CC=C3)NC([C@H](CC4=CN=C[NH]4)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC5=CC=C(C=C5)O)NC([C@@H](NC(C)=O)CO)=O)=O)CO)=O)CCSC)=O)CCC(O)=O)=O)=O)=O)CCCNC(N)=N)=O)C(NCC(N[C@H](C(N6[C@H](C(N[C@@H](C(C)C)C(N)=O)=O)CCC6)=O)CCCCN)=O)=O
• InChI: 1S/C77H109N21O19S/c1-42(2)64(65(79)106)97-75(116)61-20-13-30-98(61)76(117)54(18-10-11-28-78)88-62(103)38-85-66(107)57(34-46-36-84-50-17-9-8-16-49(46)50)94-67(108)51(19-12-29-83-77(80)81)89-70(111)55(32-44-14-6-5-7-15-44)92-72(113)58(35-47-37-82-41-86-47)95-68(109)52(25-26-63(104)105)90-69(110)53(27-31-118-4)91-74(115)60(40-100)96-71(112)56(33-45-21-23-48(102)24-22-45)93-73(114)59(39-99)87-43(3)101/h5-9,14-17,21-24,36-37,41-42,51-61,64,84,99-100,102H,10-13,18-20,25-35,38-40,78H2,1-4H3,(H2,79,106)(H,82,86)(H,85,107)(H,87,101)(H,88,103)(H,89,111)(H,90,110)(H,91,115)(H,92,113)(H,93,114)(H,94,108)(H,95,109)(H,96,112)(H,97,116)(H,104,105)(H4,80,81,83)/t51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,64-/m0/s1
• InChIKey: WHNFPRLDDSXQCL-UAZQEYIDSA-N

Properties

• Density: 1.48g/cm³ (Cal.)
• solubility: Soluble to 0.60 mg/ml in water