2-Ala-4-(5-F-Phe)-Dynorphin Amide (1-13)
[CAS# 111846-43-6]

Identification

• Name: 2-Ala-4-(5-F-Phe)-Dynorphin Amide (1-13)
• Synonyms: Dafphedyn; Dynorphin A (Pig), 2-D-Alanine-4-(2,3,4,5,6-Pentafluoro-L-Phenylalanine)-13-L-Lysinamide-14-De-L-Tryptophan-15-De-L-Aspartic Acid-16-De-L-Asparagine-17-De-L-Glutamine-; Dynorphin Amide (1-13), Ala(2)-(5-F-Phe)(4)-
• Molecular Formula: C₇₆H₁₂₄F₅N₂₅O₁₄
• Molecular Weight: 1706.97
• CAS Registry Number: 111846-43-6
• SMILES: [C@@H](CCCCN)(NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@H](CCCNC(N)=N)NC([C@H]([C@H](CC)C)NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC(=O)[C@@H](NC([C@@H](NC(CNC([C@H](NC([C@H](CC2=CC=C(C=C2)O)N)=O)C)=O)=O)CC3=C(C(=C(C(=C3F)F)F)F)F)=O)CC(C)C)=O)=O)=O)=O)=O)CCCCN)=O)CC(C)C)=O)C(N)=O
• InChI: 1S/C76H124F5N25O14/c1-8-40(6)61(72(119)102-50(21-15-31-94-76(90)91)73(120)106-32-16-22-54(106)71(118)101-47(18-10-12-28-83)66(113)103-51(33-38(2)3)68(115)98-46(62(85)109)17-9-11-27-82)105-67(114)49(20-14-30-93-75(88)89)99-65(112)48(19-13-29-92-74(86)87)100-69(116)52(34-39(4)5)104-70(117)53(36-44-56(77)58(79)60(81)59(80)57(44)78)97-55(108)37-95-63(110)41(7)96-64(111)45(84)35-42-23-25-43(107)26-24-42/h23-26,38-41,45-54,61,107H,8-22,27-37,82-84H2,1-7H3,(H2,85,109)(H,95,110)(H,96,111)(H,97,108)(H,98,115)(H,99,112)(H,100,116)(H,101,118)(H,102,119)(H,103,113)(H,104,117)(H,105,114)(H4,86,87,92)(H4,88,89,93)(H4,90,91,94)/t40-,41+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1
• InChIKey: GONRGWUCZCUEAR-NGBXKCEBSA-N

Properties

• Density: 1.45g/cm³ (Cal.)