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Substance Name: Calcitonin gene-related peptide (19-37), t-butyl-cys(18)-
RN: 137908-73-7
InChIKey: WATQXYHVKWACLE-XACTVAOOSA-N

Note

  • Arg is replaced by Cys at position 18; a synthetic antigenic fragment.

Molecular Weight

  • 2085.47
 
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Names and Synonyms

Name of Substance

  • Calcitonin gene-related peptide (19-37), t-butyl-cys(18)-

Synonyms

  • (But-cys18)(19-37)-fragment betacgrp
  • Betacgrp (19-37), t-butyl-cys(18)-
  • Calcitonin gene-related peptide (19-37), t-butyl-cysteine(18)-
  • t-Butyl-cys(18)-cgrp (19-37)

Registry Numbers

CAS Registry Number

  • 137908-73-7

System Generated Number

  • 0137908737

Structure Descriptors

InChI

1S/C92H149N25O26S2/c1-47(2)71(88(140)101-42-70(126)104-63(44-119)85(137)105-55(28-19-21-32-93)79(131)102-50(7)76(128)107-58(75(98)127)36-52-24-15-13-16-25-52)113-84(136)61(39-67(97)123)110-90(142)74(51(8)121)116-87(139)65-30-23-34-117(65)91(143)73(49(5)6)115-83(135)59(37-53-26-17-14-18-27-53)108-82(134)60(38-66(96)122)109-86(138)64(45-120)112-80(132)56(29-20-22-33-94)106-89(141)72(48(3)4)114-81(133)57(31-35-144-12)103-69(125)41-99-68(124)40-100-78(130)62(43-118)111-77(129)54(95)46-145-92(9,10)11/h13-18,24-27,47-51,54-65,71-74,118-121H,19-23,28-46,93-95H2,1-12H3,(H2,96,122)(H2,97,123)(H2,98,127)(H,99,124)(H,100,130)(H,101,140)(H,102,131)(H,103,125)(H,104,126)(H,105,137)(H,106,141)(H,107,128)(H,108,134)(H,109,138)(H,110,142)(H,111,129)(H,112,132)(H,113,136)(H,114,133)(H,115,135)(H,116,139)/t50-,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-,72-,73-,74-/m0/s1

InChIKey

WATQXYHVKWACLE-XACTVAOOSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CNC(CNC([C@@H](NC([C@@H](N)CSC(C)(C)C)=O)CO)=O)=O)=O)CCSC)=O)C(C)C)=O)CCCCN)=O)CO)=O)CC(=O)N)=O)Cc1ccccc1)=O)C(C)C)=O)=O)[C@@H](C)O)=O)CC(=O)N)=O)C(C)C)=O)=O)CO)=O)CCCCN)=O)C)=O)Cc1ccccc1)(=O)N