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Substance Name: Hirugen
RN: 121822-23-9
InChIKey: MGVRBUNKWISLAM-DQWUKECYSA-N

Molecular Formula

  • C65-H91-N13-O28-S

Molecular Weight

  • 1534.5629
 
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Names and Synonyms

Name of Substance

  • Hirugen

Synonyms

  • 63-O-Sulfo-tyr-hirudin (53-64)
  • Asparaginyl-glycyl-aspartyl-phenylalanyl-glutamyl-glutamyl-isoleucyl-prolyl-glutamyl-glutamyl-O-sulfotyrosyl-leucine
  • BG 8865
  • Hirudin (53-64), O-sulfo-tyr(63)-
  • Hirudin (53-64), O-sulfotyrosine(63)-
  • Hirudin dodecapeptide
  • NH2-Asn-gly-asp-phe-glu-glu-ile-pro-glu-glu-(SO3)tyr-leu-cooh

Systematic Name

  • L-Leucine, N-(N-(N-(N-(1-(N-(N-(N-(N-(N-(N-L-asparaginylglycyl)-L-alpha-aspartyl)-L-phenylalanyl)-L-alpha-glutamyl)-L-alpha-glutamyl)-L-isoleucyl)-L-prolyl)-L-alpha-glutamyl)-L-alpha-glutamyl)-O-sulfo-L-tyrosyl)-

Registry Numbers

CAS Registry Number

  • 121822-23-9

System Generated Number

  • 0121822239

Structure Descriptors

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

Smiles

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(C)C)C(=O)OS(=O)(=O)O)C(=O)[C@H](Cc2ccc(cc2)O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)N)N