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Substance Name: 3-Tyr-octreotide
RN: 103667-46-5
InChIKey: LHCIROHUTQLZCZ-UHFFFAOYSA-N

Note

  • Cyclic octapeptide analog of somatostatin; potent somatostatin agonist.

Molecular Formula

  • C49-H66-N10-O11-S2

Molecular Weight

  • 1035.25
 
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Names and Synonyms

Name of Substance

  • 3-Tyr-octreotide

Synonyms

  • 204-090
  • Octreotide, tyr(3)-
  • Octreotide, tyrosine(3)-
  • Sms 201-995, tyr(3)-
  • Sms-204-090
  • Tyr(3)-sms
  • Tyr-3-octreotide

Systematic Name

  • L-Cysteinamide, D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-(2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2-7)-disulfide, (R-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 103667-46-5

System Generated Number

  • 0103667465

Structure Descriptors

InChI

1S/C49H66N10O11S2/c1-27(61)39(24-60)56-48(69)41-26-72-71-25-40(57-43(64)34(51)20-29-10-4-3-5-11-29)47(68)54-37(21-30-15-17-32(63)18-16-30)45(66)55-38(22-31-23-52-35-13-7-6-12-33(31)35)46(67)53-36(14-8-9-19-50)44(65)59-42(28(2)62)49(70)58-41/h3-7,10-13,15-18,23,27-28,34,36-42,52,60-63H,8-9,14,19-22,24-26,50-51H2,1-2H3,(H,53,67)(H,54,68)(H,55,66)(H,56,69)(H,57,64)(H,58,70)(H,59,65)

InChIKey

LHCIROHUTQLZCZ-UHFFFAOYSA-N

Smiles

N1[C@@H](C(N[C@@H](C(N[C@@H]([C@@H](O)C)CO)=O)CSSC[C@@H](C(=O)N[C@@H](C(N[C@@H](C(N[C@@H](C1=O)CCCCN)=O)Cc1c[nH]c2c1cccc2)=O)Cc1ccc(O)cc1)NC([C@@H](Cc1ccccc1)N)=O)=O)[C@@H](O)C