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Substance Name: Tyrosyl-seryl(o-t-butyl)-glycyl-phenylalanyl-leucyl-threonine(o-t-butyl)
RN: 111035-57-5
InChIKey: VPPAQLDQAXBBTE-GQAKXHIGSA-N

Molecular Formula

  • C41-H62-N6-O10

Molecular Weight

  • 798.973
 
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Names and Synonyms

Name of Substance

  • Tyrosyl-seryl(o-t-butyl)-glycyl-phenylalanyl-leucyl-threonine(o-t-butyl)

Synonyms

  • (Ser(2)(o-tert-butyl)-leu(5))enkephalyl-thr(6)(o-tert-butyl)
  • BUBU
  • Leu(5)-enkephalin, ser(2)(o-tert-butyl)-thr(6)(o-tert-butyl)
  • Tyr-ser(o-tert-Bu)-gly-phe-leu-thr(o-tert-Bu)

Systematic Name

  • L-Threonine, N-(N-(N-(N-(o-(1,1-dimethylethyl)-N-L-tyrosyl-D-seryl)glycyl)-L-phenylalanyl)-L-leucyl)-, 1,1-dimethylethyl ester

Registry Numbers

CAS Registry Number

  • 111035-57-5

System Generated Number

  • 0111035575

Structure Descriptors

InChI

1S/C41H62N6O10/c1-24(2)19-30(38(54)47-34(25(3)48)39(55)57-41(7,8)9)45-37(53)31(21-26-13-11-10-12-14-26)44-33(50)22-43-36(52)32(23-56-40(4,5)6)46-35(51)29(42)20-27-15-17-28(49)18-16-27/h10-18,24-25,29-32,34,48-49H,19-23,42H2,1-9H3,(H,43,52)(H,44,50)(H,45,53)(H,46,51)(H,47,54)/t25-,29+,30+,31+,32-,34+/m1/s1

InChIKey

VPPAQLDQAXBBTE-GQAKXHIGSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC(CNC([C@H](NC([C@@H](N)Cc1ccc(O)cc1)=O)COC(C)(C)C)=O)=O)Cc1ccccc1)=O)CC(C)C)=O)[C@@H](C)O)(=O)OC(C)(C)C