L-Threonyl-L-Threonyl-L-Tyrosyl-L-Alanyl-L-alpha-Aspartyl-L-Phenylalanyl-L-Isoleucyl-L-Alanyl-L-Serylglycyl-L-Arginyl-L-Threonylglycyl-L-Arginyl-L-Arginyl-L-Asparaginyl-L-Alanyl-L-Isoleucyl-L-Histidyl-L-Aspartic Acid
[CAS# 99534-03-9]

Identification

• Name: L-Threonyl-L-Threonyl-L-Tyrosyl-L-Alanyl-L-alpha-Aspartyl-L-Phenylalanyl-L-Isoleucyl-L-Alanyl-L-Serylglycyl-L-Arginyl-L-Threonylglycyl-L-Arginyl-L-Arginyl-L-Asparaginyl-L-Alanyl-L-Isoleucyl-L-Histidyl-L-Aspartic Acid
• Synonyms: Ip-20; L-Aspartic Acid, L-Threonyl-L-Threonyl-L-Tyrosyl-L-Alanyl-L-Alpha-Aspartyl-L-Phenylalnyl-L-Isoleucyl-L-Alanyl-L-Serylglycyl-L-Arginyl-L-Threonylglycyl-L-Arginyl-L-Arginyl-L-Asparaginyl-L-Alanyl-L-Isoleucyl-L-Histidyl-; Peptide Inhibitor Ip-20
• Molecular Formula: C₉₄H₁₄₈N₃₂O₃₁
• Molecular Weight: 2222.40
• CAS Registry Number: 99534-03-9
• SMILES: [C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C(O)C)=O)C(O)C)=O)CC1=CC=C(C=C1)O)=O)C)=O)CC(=O)O)=O)CC2=CC=CC=C2)=O)[C@@H](C)CC)=O)C)=O)CO)=O)=O)CCCNC(N)=N)=O)C(O)C)=O)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)(C(N[C@@H](C)C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CC(=O)O)=O)CC3=CN=C[NH]3)=O)[C@@H](C)CC)=O)=O)CC(=O)N
• InChI: 1S/C94H148N32O31/c1-11-42(3)70(124-85(150)58(31-50-19-14-13-15-20-50)117-84(149)61(35-67(135)136)116-74(139)44(5)110-81(146)57(32-51-24-26-53(131)27-25-51)119-90(155)73(49(10)130)126-86(151)69(96)47(8)128)88(153)112-45(6)75(140)122-63(40-127)77(142)107-38-65(133)114-55(22-17-29-105-93(99)100)80(145)125-72(48(9)129)87(152)108-39-66(134)113-54(21-16-28-104-92(97)98)78(143)115-56(23-18-30-106-94(101)102)79(144)118-60(34-64(95)132)82(147)111-46(7)76(141)123-71(43(4)12-2)89(154)120-59(33-52-37-103-41-109-52)83(148)121-62(91(156)157)36-68(137)138/h13-15,19-20,24-27,37,41-49,54-63,69-73,127-131H,11-12,16-18,21-23,28-36,38-40,96H2,1-10H3,(H2,95,132)(H,103,109)(H,107,142)(H,108,152)(H,110,146)(H,111,147)(H,112,153)(H,113,134)(H,114,133)(H,115,143)(H,116,139)(H,117,149)(H,118,144)(H,119,155)(H,120,154)(H,121,148)(H,122,140)(H,123,141)(H,124,150)(H,125,145)(H,126,151)(H,135,136)(H,137,138)(H,156,157)(H4,97,98,104)(H4,99,100,105)(H4,101,102,106)/t42-,43-,44-,45-,46-,47?,48?,49?,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,69-,70-,71-,72-,73-/m0/s1
• InChIKey: AXOXZJJMUVSZQY-BVDKBYOBSA-N
• Protein Sequence: H-Thr-Thr-Tyr-Ala-Asp-Phe-Ile-Ala-Ser-Gly-Arg-Thr-Gly-Arg-Arg-Asn-Ala-Ile-His-Asp-OH