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Substance Name: Men 10627
RN: 157351-81-0
InChIKey: LOLQIXVGWUZRTD-GLANSSQHSA-N

Note

  • A polycyclic peptide; a tachykinin NK2 receptor antagonist.

Molecular Formula

  • C38-H48-N8-O7-S

Molecular Weight

  • 760.912
 
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Names and Synonyms

Name of Substance

  • Men 10627

Synonyms

  • Cyclo(met-asp-trp-phe-dap-leu)cyclo(2beta-5beta)
  • Cyclo(methionyl-aspartyl-tryptophyl-phenylalanyl-diaminopropanoyl-leucyl)cyclo(2beta-5beta)
  • Men 10,627

Systematic Name

  • Men 10627

Registry Numbers

CAS Registry Number

  • 157351-81-0

System Generated Number

  • 0157351810

Structure Descriptors

InChI

1S/C38H48N8O7S/c1-23(2)16-32-38(53)44-31(13-15-54-22-40-20-28(39)34(49)45-32)36(51)43-30(12-14-47)35(50)46-33(18-25-19-41-29-11-7-6-10-27(25)29)37(52)42-26(21-48)17-24-8-4-3-5-9-24/h3-11,13-15,19,21,23,26,28,30-33,40-41H,12,16-18,20,22,39H2,1-2H3,(H,42,52)(H,43,51)(H,44,53)(H,45,49)(H,46,50)/b15-13-/t26-,28-,30-,31-,32-,33-/m0/s1

InChIKey

LOLQIXVGWUZRTD-GLANSSQHSA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@H]1NC([C@@H](NC([C@@H](N)CNCSC=C1)=O)CC(C)C)=O)=O)CC=O)=O)Cc1c[nH]c2ccccc12)=O)Cc1ccccc1)=O