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Substance Name: Hirudin (53-64)
RN: 135546-61-1
InChIKey: VLFYEJLWSPRLPB-NETUVYTNSA-N

Molecular Formula

  • C68-H96-N14-O26

Molecular Weight

  • 1525.5784
 
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Names and Synonyms

Name of Substance

  • Hirudin (53-64)

Synonym

  • Hirudin 53-64

Systematic Name

  • L-Alanine, L-asparaginylglycyl-L-alpha-aspartyl-L-pheylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucyl-

Registry Numbers

CAS Registry Number

  • 135546-61-1

System Generated Number

  • 0135546611

Structure Descriptors

InChI

1S/C68H96N14O26/c1-6-34(4)56(81-61(100)43(21-25-54(92)93)75-58(97)40(18-22-51(86)87)76-63(102)45(28-36-11-8-7-9-12-36)80-65(104)47(31-55(94)95)73-50(85)32-71-57(96)39(69)30-49(70)84)67(106)82-26-10-13-48(82)66(105)77-42(20-24-53(90)91)59(98)74-41(19-23-52(88)89)60(99)79-46(29-37-14-16-38(83)17-15-37)64(103)78-44(27-33(2)3)62(101)72-35(5)68(107)108/h7-9,11-12,14-17,33-35,39-48,56,83H,6,10,13,18-32,69H2,1-5H3,(H2,70,84)(H,71,96)(H,72,101)(H,73,85)(H,74,98)(H,75,97)(H,76,102)(H,77,105)(H,78,103)(H,79,99)(H,80,104)(H,81,100)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,107,108)/t34-,35-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,56-/m0/s1

InChIKey

VLFYEJLWSPRLPB-NETUVYTNSA-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](Cc2ccc(cc2)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)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