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Substance Name: 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside
RN: 117833-71-3
InChIKey: ODBVLKRQCUWPLB-WGQNIUCJSA-N

Molecular Formula

  • C41-H53-N5-O12

Molecular Weight

  • 807.8927
 
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Names and Synonyms

Synonyms

  • (5-Leu)enkephalin-related
  • L-Leucine, N-(N-(N-(N-L-tyrosylglycyl)glycyl)-L-phenylalanyl)-, 6-ester with phenylmethyl b-D-glucopyranoside

Systematic Name

  • 1-5-b-Neoendorphin (human), 6-ester with phenylmethyl b-D-glucopyranoside

Registry Numbers

CAS Registry Number

  • 117833-71-3

System Generated Number

  • 0117833713

Structure Descriptors

InChI

1S/C41H53N5O12/c1-24(2)17-31(40(55)56-23-32-35(50)36(51)37(52)41(58-32)57-22-27-11-7-4-8-12-27)46-39(54)30(19-25-9-5-3-6-10-25)45-34(49)21-43-33(48)20-44-38(53)29(42)18-26-13-15-28(47)16-14-26/h3-16,24,29-32,35-37,41,47,50-52H,17-23,42H2,1-2H3,(H,43,48)(H,44,53)(H,45,49)(H,46,54)/t29-,30-,31-,32+,35+,36-,37+,41+/m0/s1

InChIKey

ODBVLKRQCUWPLB-WGQNIUCJSA-N

Smiles

CC(C)C[C@@H](C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCc2ccccc2)O)O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccc(cc4)O)N