Omiganan
[CAS# 204248-78-2]

Identification

• Name: Omiganan
• Synonyms: L-Isoleucyl-L-Leucyl-L-Arginyl-L-Tryptophyl-L-Prolyl-L-Tryptophyl-L-Tryptophyl-L-Prolyl-L-Tryptophyl-L-Arginyl-L-Arginyl-L-Lysinamide; L-Lysinamide, L-Isoleucyl-L-Leucyl-L-Arginyl-L-Tryptophyl-L-Prolyl-L-Tryptophyl-L-Tryptophyl-L-Prolyl-L-Tryptophyl-L-Arginyl-L-Arginyl; Omiganan
• Molecular Formula: C₉₀H₁₂₇N₂₇O₁₂
• Molecular Weight: 1779.17
• CAS Registry Number: 204248-78-2
• SMILES: [C@H](C(N3[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(=O)N)CCCCN)=O)CCCNC(=N)N)=O)CCCNC(=N)N)=O)CC1=C[NH]C2=C1C=CC=C2)=O)CCC3)=O)(NC([C@@H](NC([C@H]6N(C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)[C@H](CC)C)=O)CC(C)C)=O)CCCNC(=N)N)=O)CC4=C[NH]C5=C4C=CC=C5)=O)CCC6)=O)CC7=C[NH]C8=C7C=CC=C8)=O)CC9=C[NH]C%10=C9C=CC=C%10
• InChI: 1S/C90H127N27O12/c1-5-51(4)75(92)85(127)113-68(41-50(2)3)80(122)109-67(32-18-38-102-90(98)99)79(121)114-71(44-54-48-105-62-27-12-8-23-58(54)62)86(128)116-39-19-34-74(116)84(126)112-70(43-53-47-104-61-26-11-7-22-57(53)61)82(124)115-72(45-55-49-106-63-28-13-9-24-59(55)63)87(129)117-40-20-33-73(117)83(125)111-69(42-52-46-103-60-25-10-6-21-56(52)60)81(123)110-66(31-17-37-101-89(96)97)78(120)108-65(30-16-36-100-88(94)95)77(119)107-64(76(93)118)29-14-15-35-91/h6-13,21-28,46-51,64-75,103-106H,5,14-20,29-45,91-92H2,1-4H3,(H2,93,118)(H,107,119)(H,108,120)(H,109,122)(H,110,123)(H,111,125)(H,112,126)(H,113,127)(H,114,121)(H,115,124)(H4,94,95,100)(H4,96,97,101)(H4,98,99,102)/t51-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1
• InChIKey: MVPAMLBUDIFYGK-BHDRXCTLSA-N