L-leucyl-L-lysyl-L-isoleucyl-L-alpha-glutamyl-L-alpha-aspartyl-L-seryl-L-alpha-aspartyl-L-threonyl-L-tyrosyl-L-isoleucyl-L-cysteinyl-L-alpha-glutamyl-L-valyl-glutamyl-L-alpha-aspartyl-L-glutaminyl-L-lysyl-alpha-glutamyl-L-Glutamic acid
[CAS# 123380-67-6]

Identification

• Name: L-leucyl-L-lysyl-L-isoleucyl-L-alpha-glutamyl-L-alpha-aspartyl-L-seryl-L-alpha-aspartyl-L-threonyl-L-tyrosyl-L-isoleucyl-L-cysteinyl-L-alpha-glutamyl-L-valyl-glutamyl-L-alpha-aspartyl-L-glutaminyl-L-lysyl-alpha-glutamyl-L-Glutamic acid
• Synonyms: Leu-Lys-Ile-Glu-Asp-Ser-Asp-Thr-Tyr-Ile-Cys-Glu-Val-Glu-Asp-Gln-Lys-Glu-Glu (Cd4 76-94 Peptide); Cd4 (76-94); L-Glutamic Acid, L-Leucyl-L-Lysyl-L-Isoleucyl-L-Alpha-Glutamyl-L-Alpha-Aspartyl-L-Seryl-L-Alpha-Aspartyl-L-Threonyl-L-Tyrosyl-L-Isoleucyl-L-Cysteinyl-L-Alpha-Glutamyl-L-Valyl-Glutamyl-L-Alpha-Aspartyl-L-Glutaminyl-L-Lysyl-Alpha-Glutamyl-
• Molecular Formula: C₉₆H₁₅₂N₂₂O₄₀S
• Molecular Weight: 2286.44
• CAS Registry Number: 123380-67-6
• SMILES: [C@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@@H](CCC(O)=O)C(=O)O)=O)CCC(O)=O)CCCCN)=O)CCC(N)=O)CC(O)=O)=O)CCC(O)=O)=O)C(C)C)CCC(O)=O)=O)CS)[C@H](CC)C)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CC(C)C)N)=O)CCCCN)=O)[C@H](CC)C)=O)CCC(O)=O)=O)CC(O)=O)=O)CO)=O)CC(O)=O)=O)[C@@H](C)O
• InChI: 1S/C96H152N22O40S/c1-10-45(7)75(116-84(145)52(17-13-15-35-98)101-78(139)50(99)36-43(3)4)93(154)107-56(25-31-68(127)128)83(144)110-61(39-72(135)136)87(148)113-63(41-119)90(151)111-62(40-73(137)138)89(150)118-77(47(9)120)95(156)112-59(37-48-18-20-49(121)21-19-48)88(149)117-76(46(8)11-2)94(155)114-64(42-159)91(152)105-57(26-32-69(129)130)85(146)115-74(44(5)6)92(153)106-55(24-30-67(125)126)82(143)109-60(38-71(133)134)86(147)104-53(22-28-65(100)122)80(141)102-51(16-12-14-34-97)79(140)103-54(23-29-66(123)124)81(142)108-58(96(157)158)27-33-70(131)132/h18-21,43-47,50-64,74-77,119-121,159H,10-17,22-42,97-99H2,1-9H3,(H2,100,122)(H,101,139)(H,102,141)(H,103,140)(H,104,147)(H,105,152)(H,106,153)(H,107,154)(H,108,142)(H,109,143)(H,110,144)(H,111,151)(H,112,156)(H,113,148)(H,114,155)(H,115,146)(H,116,145)(H,117,149)(H,118,150)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,157,158)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,74-,75-,76-,77-/m0/s1
• InChIKey: NDFQQFWSEZIVCS-BTHISMKCSA-N