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Substance Name: 1-5-beta-Neoendorphin (human), 6-ester with beta-D-glucopyranose 1,2,3,4-tetraacetate
RN: 117833-68-8
InChIKey: JGOLGLYLAUVDFK-BNEQXWMJSA-N

Molecular Formula

  • C42-H55-N5-O16

Molecular Weight

  • 885.9155
 
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Names and Synonyms

Synonyms

  • (5-Leu)enkephalin-related
  • 6-(Tyrosylglycylglycylphenylalanylleucyl)-beta-D-glucopyranosetetraacetate

Systematic Name

  • 1-5-beta-Neoendorphin (human), 6-ester with beta-D-glucopyranose 1,2,3,4-tetraacetate

Registry Numbers

CAS Registry Number

  • 117833-68-8

System Generated Number

  • 0117833688

Structure Descriptors

InChI

1S/C42H55N5O16/c1-22(2)16-32(41(57)58-21-33-36(59-23(3)48)37(60-24(4)49)38(61-25(5)50)42(63-33)62-26(6)51)47-40(56)31(18-27-10-8-7-9-11-27)46-35(54)20-44-34(53)19-45-39(55)30(43)17-28-12-14-29(52)15-13-28/h7-15,22,30-33,36-38,42,52H,16-21,43H2,1-6H3,(H,44,53)(H,45,55)(H,46,54)(H,47,56)/t30-,31-,32-,33+,36+,37-,38+,42+/m0/s1

InChIKey

JGOLGLYLAUVDFK-BNEQXWMJSA-N

Smiles

CC(C)C[C@@H](C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc3ccc(cc3)O)N