63-O-Sulfo-tyr-hirudin (53-64)
[CAS# 121822-23-9]

Identification

• Name: 63-O-Sulfo-tyr-hirudin (53-64)
• Synonyms: Asparaginyl-Glycyl-Aspartyl-Phenylalanyl-Glutamyl-Glutamyl-Isoleucyl-Prolyl-Glutamyl-Glutamyl-O-Sulfotyrosyl-Leucine; Bg 8865; Hirudin (53-64), O-Sulfo-Tyr(63)-
• Molecular Formula: C₆₅H₉₁N₁₃O₂₈S
• Molecular Weight: 1534.56
• CAS Registry Number: 121822-23-9
• SMILES: [C@H](C(O[S](=O)(=O)O)=O)(N(C([C@@H](N)CC1=CC=C(O)C=C1)=O)C([C@@H](NC([C@@H](NC([C@H]2N(CCC2)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](N)CC(=O)N)=O)=O)CC(=O)O)=O)CC3=CC=CC=C3)=O)CCC(=O)O)=O)CCC(=O)O)=O)[C@H](CC)C)=O)=O)CCC(=O)O)=O)CCC(=O)O)=O)CC(C)C
• InChI: 1S/C65H91N13O28S/c1-5-33(4)54(76-58(95)41(19-23-51(86)87)71-56(93)39(17-21-49(82)83)72-59(96)43(28-34-10-7-6-8-11-34)75-60(97)44(30-53(90)91)70-48(81)31-69-55(92)37(66)29-47(68)80)64(101)77-25-9-12-45(77)61(98)73-40(18-22-50(84)85)57(94)74-42(20-24-52(88)89)63(100)78(46(26-32(2)3)65(102)106-107(103,104)105)62(99)38(67)27-35-13-15-36(79)16-14-35/h6-8,10-11,13-16,32-33,37-46,54,79H,5,9,12,17-31,66-67H2,1-4H3,(H2,68,80)(H,69,92)(H,70,81)(H,71,93)(H,72,96)(H,73,98)(H,74,94)(H,75,97)(H,76,95)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,103,104,105)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,54-/m0/s1
• InChIKey: MGVRBUNKWISLAM-DQWUKECYSA-N

Properties

• Density: 1.441g/cm³ (Cal.)