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Substance Name: Men 10612
RN: 151911-04-5
InChIKey: YMJSHBCDXDDCQD-UHFFFAOYSA-N

Note

  • A cyclic pseudopeptide; a potent tachykinin NK-2 receptor antagonist.

Molecular Formula

  • C43-H60-N8-O6

Molecular Weight

  • 784.997
 
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Names and Synonyms

Name of Substance

  • Men 10612

Synonyms

  • Cyclo(leu-psi(CH2NH)-cha-gln-trp-phe-beta-ala)
  • MEN 10,612
  • Men-10,612

Systematic Names

  • beta-Alanine, N-(2-amino-4-methylpentyl)-3-cyclohexyl-L-alanyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-, cyclic (5-1)-peptide, (S)-
  • Cyclo(3-cyclohexyl-L-alanyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-beta-alanyl-L-leucyl-psi(CH2-NH))

Registry Numbers

CAS Registry Number

  • 151911-04-5

System Generated Number

  • 0151911045

Structure Descriptors

InChI

1S/C43H60N8O6/c1-27(2)21-31-26-47-35(22-28-11-5-3-6-12-28)42(56)49-34(17-18-38(44)52)41(55)51-37(24-30-25-46-33-16-10-9-15-32(30)33)43(57)50-36(23-29-13-7-4-8-14-29)40(54)45-20-19-39(53)48-31/h4,7-10,13-16,25,27-28,31,34-37,46-47H,3,5-6,11-12,17-24,26H2,1-2H3,(H2,44,52)(H,45,54)(H,48,53)(H,49,56)(H,50,57)(H,51,55)

InChIKey

YMJSHBCDXDDCQD-UHFFFAOYSA-N

Smiles

NC(CC[C@@H]1NC(=O)[C@@H](CC2CCCCC2)NC[C@@H](NC(=O)CCNC([C@@H](Cc2ccccc2)NC([C@@H](Cc2c[nH]c3ccccc23)NC1=O)=O)=O)CC(C)C)=O