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Substance Name: Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide
RN: 103429-31-8
InChIKey: PZWWYAHWHHNCHO-UHFFFAOYSA-N

Note

  • Cyclic somatostatin octapeptide analog with high affinity & selectivity toward mu opioid receptors.

Molecular Formula

  • C50-H67-N11-O11-S2

Molecular Weight

  • 1062.28
 
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Names and Synonyms

Name of Substance

  • Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide

Synonyms

  • CTOP
  • Ctop-NH2
  • CTOPA
  • Cys(2)-tyr(3)-orn(5)-pen(7)-amide
  • Phe-cycl(cys-tyr-trp-orn-thr-pen)thr-NH2

Systematic Name

  • L-Threoninamide, D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-ornithyl-L-threonyl-3-mercapto-L-valyl-, cyclic (2-7)-disulfide

Registry Numbers

CAS Registry Number

  • 103429-31-8

System Generated Number

  • 0103429318

Structure Descriptors

InChI

1S/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-38(58-43(66)33(52)21-28-11-6-5-7-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-9-8-13-32(30)34)46(69)55-35(15-10-20-51)44(67)60-40(27(2)63)48(71)61-41/h5-9,11-14,16-19,24,26-27,33,35-41,54,62-64H,10,15,20-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)

InChIKey

PZWWYAHWHHNCHO-UHFFFAOYSA-N

Smiles

C1(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NC([C@@H](Cc2ccccc2)N)=O)CSSC(C)(C)[C@@H](C(N[C@@H]([C@@H](C)O)C(=O)N)=O)NC(=O)[C@@H]([C@@H](O)C)NC(=O)[C@@H](N1)CCCN)Cc1c[nH]c2ccccc12