2-(3,5-Diiodo-Tyr)alpha-melanotropin
[CAS# 73391-89-6]

Identification

• Name: 2-(3,5-Diiodo-Tyr)alpha-melanotropin
• Synonyms: 2-(3,5-Diiodotyrosine)Alpha-Melanotropin; 2-(3,5-Diiodotyrosine)Alpha-Msh; 2-(Diiodotyrosine)Alpha-Msh
• Molecular Formula: C₇₇H₁₀₇I₂N₂₁O₁₉S
• Molecular Weight: 1916.69
• CAS Registry Number: 73391-89-6
• SMILES: [C@@H](CC1=C[NH]C2=C1C=CC=C2)(NC([C@@H](NC([C@@H](NC([C@H](CC3=CN=C[NH]3)NC(=O)[C@H](CCC(O)=O)NC([C@@H](NC(=O)[C@@H](NC([C@H](CC4=CC(=C(C(=C4)I)O)I)NC(=O)[C@H](CO)NC(C)=O)=O)CO)CCSC)=O)=O)CC5=CC=CC=C5)=O)CCCNC(N)=N)=O)C(NCC(N[C@@H](CCCCN)C(=O)N6[C@@H](CCC6)C(=O)N[C@@H](C(C)C)C(N)=O)=O)=O
• InChI: 1S/C77H107I2N21O19S/c1-40(2)63(65(81)108)99-75(118)60-20-13-26-100(60)76(119)53(18-10-11-24-80)90-61(104)36-87-66(109)56(32-44-34-86-49-17-9-8-16-46(44)49)96-67(110)50(19-12-25-85-77(82)83)91-70(113)54(30-42-14-6-5-7-15-42)94-72(115)57(33-45-35-84-39-88-45)97-68(111)51(21-22-62(105)106)92-69(112)52(23-27-120-4)93-74(117)59(38-102)98-71(114)55(95-73(116)58(37-101)89-41(3)103)31-43-28-47(78)64(107)48(79)29-43/h5-9,14-17,28-29,34-35,39-40,50-60,63,86,101-102,107H,10-13,18-27,30-33,36-38,80H2,1-4H3,(H2,81,108)(H,84,88)(H,87,109)(H,89,103)(H,90,104)(H,91,113)(H,92,112)(H,93,117)(H,94,115)(H,95,116)(H,96,110)(H,97,111)(H,98,114)(H,99,118)(H,105,106)(H4,82,83,85)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-/m0/s1
• InChIKey: XBBCRGKCBASHQG-WVPSHMGMSA-N