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Substance Name: R 396
RN: 129809-09-2
InChIKey: VTQMNICJVWMKEV-QKUYTOGTSA-N

Note

  • Linear hexapeptide; NK-2 tachykinin receptor antagonist.

Molecular Formula

  • C39-H51-N9-O10

Molecular Weight

  • 805.885
 
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Names and Synonyms

Name of Substance

  • R 396

Synonyms

  • Acetylleucyl-aspartyl-glutaminyl-tryptophyl-phenylalanyl-glycine amide
  • Acleu-asp-gln-trp-phe-glynh2
  • R396

Systematic Name

  • Glycinamide, N-acetyl-L-leucyl-L-alpha-aspartyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-

Registry Numbers

CAS Registry Number

  • 129809-09-2

System Generated Number

  • 0129809092

Structure Descriptors

InChI

1S/C39H51N9O10/c1-21(2)15-28(44-22(3)49)37(56)48-31(18-34(52)53)39(58)45-27(13-14-32(40)50)36(55)47-30(17-24-19-42-26-12-8-7-11-25(24)26)38(57)46-29(35(54)43-20-33(41)51)16-23-9-5-4-6-10-23/h4-12,19,21,27-31,42H,13-18,20H2,1-3H3,(H2,40,50)(H2,41,51)(H,43,54)(H,44,49)(H,45,58)(H,46,57)(H,47,55)(H,48,56)(H,52,53)/t27-,28-,29-,30-,31-/m0/s1

InChIKey

VTQMNICJVWMKEV-QKUYTOGTSA-N

Smiles

N([C@H](C(N[C@H](C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N)=O)CCC(N)=O)=O)CC(O)=O)C([C@H](CC(C)C)NC(C)=O)=O