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Substance Name: Mdl 28050
RN: 129521-72-8
InChIKey: LCKYRQRGZIOXSQ-MMVZGAKKSA-N

Note

  • Synthetic analog of hirudin 55-65 C-terminal fragment.

Molecular Formula

  • C61-H88-N10-O23

Molecular Weight

  • 1329.41
 
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Names and Synonyms

Name of Substance

  • Mdl 28050

Synonyms

  • Mdl-28050
  • Suc-tyr-glu-pro-ile-pro-glu-glu-ala-cha-glu-OH
  • Succinyl-tyrosyl-glutamyl-prolyl-isoleucyl-prolyl-glutamyl-glutamyl-alanyl-beta-cyclohexylalanyl-glutamine

Systematic Name

  • D-Glutamic acid, N-(N-(N-(N-(N-(1-(N-(1-(N-(N-(3-carboxy-1-oxopropyl)-L-tyrosyl)-L-alpha-glutamyl)-L-propyl)-L-isoleucyl)-L-prolyl)-L-alpha-glutamyl)-L-alpha-glutamyl)-L-alanyl)-3-cyclohexyl-L-alanyl)-

Registry Numbers

CAS Registry Number

  • 129521-72-8

System Generated Number

  • 0129521728

Structure Descriptors

InChI

1S/C61H88N10O23/c1-4-32(2)51(69-58(90)44-13-8-28-70(44)59(91)39(20-25-48(78)79)66-55(87)41(63-45(73)22-27-50(82)83)31-35-14-16-36(72)17-15-35)60(92)71-29-9-12-43(71)57(89)65-38(19-24-47(76)77)54(86)64-37(18-23-46(74)75)53(85)62-33(3)52(84)68-42(30-34-10-6-5-7-11-34)56(88)67-40(61(93)94)21-26-49(80)81/h14-17,32-34,37-44,51,72H,4-13,18-31H2,1-3H3,(H,62,85)(H,63,73)(H,64,86)(H,65,89)(H,66,87)(H,67,88)(H,68,84)(H,69,90)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,93,94)/t32-,33-,37-,38-,39-,40+,41-,42-,43-,44-,51-/m0/s1

InChIKey

LCKYRQRGZIOXSQ-MMVZGAKKSA-N

Smiles

C(=O)([C@@H](NC([C@H](Cc1ccc(cc1)O)NC(CCC(O)=O)=O)=O)CCC(=O)O)N1[C@H](C(=O)N[C@@H]([C@H](CC)C)C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CC3CCCCC3)C(=O)N[C@@H](C(O)=O)CCC(O)=O)=O)C)=O)CCC(O)=O)CCC2)CCC1