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Substance Name: Hirudin (54-64), N(alpha)-dinitrofluorobenzyl-
RN: 127761-72-2
InChIKey: CLINWUHYIRWEBK-OLSQCLKESA-N

Molecular Weight

  • 1538.5052
 
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Names and Synonyms

Name of Substance

  • Hirudin (54-64), N(alpha)-dinitrofluorobenzyl-

Synonyms

  • Dnfb-hirudin (54-64)
  • N(alpha)-(Dinitrifluorobenzyl)hirudin (54-64)

Registry Numbers

CAS Registry Number

  • 127761-72-2

System Generated Number

  • 0127761722

Structure Descriptors

InChI

1S/C68H88FN13O27/c1-5-35(4)58(67(103)80-25-9-12-49(80)66(102)75-43(19-23-55(89)90)60(96)72-42(18-22-54(87)88)61(97)76-46(28-37-13-15-39(83)16-14-37)64(100)78-48(68(104)105)26-34(2)3)79-62(98)44(20-24-56(91)92)73-59(95)41(17-21-53(85)86)74-63(99)45(27-36-10-7-6-8-11-36)77-65(101)47(30-57(93)94)71-52(84)33-70-32-38-29-40(69)51(82(108)109)31-50(38)81(106)107/h6-8,10-11,13-16,29,31,34-35,41-49,58,70,83H,5,9,12,17-28,30,32-33H2,1-4H3,(H,71,84)(H,72,96)(H,73,95)(H,74,99)(H,75,102)(H,76,97)(H,77,101)(H,78,100)(H,79,98)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H,93,94)(H,104,105)/t35-,41-,42-,43-,44-,45-,46-,47-,48-,49-,58-/m0/s1

InChIKey

CLINWUHYIRWEBK-OLSQCLKESA-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)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)CNCc4cc(c(cc4[N+](=O)[O-])[N+](=O)[O-])F