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Substance Name: Mdl 29913
RN: 135721-56-1
InChIKey: DBIVSFCCTOEQTP-ROXJZOQISA-N

Note

  • Tachykinin antagonist.

Molecular Formula

  • C40-H56-N8-O6

Molecular Weight

  • 744.9324
 
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Names and Synonyms

Name of Substance

  • Mdl 29913

Synonyms

  • Cyclo(gln-trp-phe-gly-leu-CH2NCH3-leu)
  • Mdl-29913
  • N-(2-Amino-4-methylpentyl)-N-methyl-L-leucyl-L-glutaminyl-L-tryptophyl-L-phenylalanylglycine cyclic (5-1)-peptide

Systematic Name

  • Glycine, N-(2-amino-4-methylpentyl)-N-methyl-L-leucyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-, cyclic (5-1)-peptide

Registry Numbers

CAS Registry Number

  • 135721-56-1

System Generated Number

  • 0135721561

Structure Descriptors

InChI

1S/C40H56N8O6/c1-25(2)19-29(41)24-48(5)35(20-26(3)4)40(54)45-32(15-16-36(42)50)38(52)47-34(22-28-23-44-31-14-10-9-13-30(28)31)39(53)46-33(37(51)43-17-18-49)21-27-11-7-6-8-12-27/h6-14,17-18,23,25-26,29,32-35,44H,15-16,19-22,24,41H2,1-5H3,(H2,42,50)(H,45,54)(H,46,53)(H,47,52)/b43-17+/t29?,32-,33-,34-,35-/m0/s1

InChIKey

DBIVSFCCTOEQTP-ROXJZOQISA-N

Smiles

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)/N=C/C=O)N(C)CC(CC(C)C)N