Arg-gly-asp-hirudin (53-64)
[CAS# 135546-62-2]

Identification

• Name: Arg-gly-asp-hirudin (53-64)
• Synonyms: Rgd-Hirudin (53-64); Arg-Gly-Asp-Hirudin (53-64)
• Molecular Formula: C₉₆H₁₃₄N₂₄O₃₅
• Molecular Weight: 2184.25
• CAS Registry Number: 135546-62-2
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC(CNC([C@@H](N)CC2=C[NH]C3=CC=CC=C23)=O)=O)CCCNC(=N)N)=O)=O)CC(=O)O)=O)CO)=O)C)=O)CC(=O)N)=O)=O)CC(=O)O)=O)CC4=CC=CC=C4)=O)CCC(=O)O)=O)CCC(=O)O)=O)[C@H](CC)C)=O)=O)CCC(=O)O)=O)CCC(=O)O)=O)CC5=CC=C(O)C=C5)=O)CC(C)C
• InChI: 1S/C96H134N24O35/c1-6-47(4)79(94(153)120-33-13-19-68(120)93(152)113-59(26-30-75(131)132)85(144)110-58(25-29-74(129)130)86(145)115-62(36-50-20-22-52(122)23-21-50)89(148)117-66(95(154)155)34-46(2)3)119-87(146)60(27-31-76(133)134)111-84(143)57(24-28-73(127)128)112-88(147)61(35-49-14-8-7-9-15-49)116-90(149)64(39-77(135)136)108-72(126)44-105-83(142)63(38-69(98)123)114-80(139)48(5)106-92(151)67(45-121)118-91(150)65(40-78(137)138)109-71(125)43-104-82(141)56(18-12-32-101-96(99)100)107-70(124)42-103-81(140)54(97)37-51-41-102-55-17-11-10-16-53(51)55/h7-11,14-17,20-23,41,46-48,54,56-68,79,102,121-122H,6,12-13,18-19,24-40,42-45,97H2,1-5H3,(H2,98,123)(H,103,140)(H,104,141)(H,105,142)(H,106,151)(H,107,124)(H,108,126)(H,109,125)(H,110,144)(H,111,143)(H,112,147)(H,113,152)(H,114,139)(H,115,145)(H,116,149)(H,117,148)(H,118,150)(H,119,146)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,154,155)(H4,99,100,101)/t47-,48-,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,79-/m0/s1
• InChIKey: QBHXCNOIZXPFAX-CBSKAYLISA-N