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Substance Name: Tyr(3)-octreotide I-125
RN: 113202-69-0
UNII: H74I859N9S
InChIKey: HAEDWNRNLYOMDG-SVNYDLRTSA-N

Molecular Formula

  • C49-H65-I-N10-O11-S2

Molecular Weight

  • 1159.1481
 
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Names and Synonyms

Name of Substance

  • Tyr(3)-octreotide I-125

Synonyms

  • (125I-Tyr3)octreotide
  • L-Cysteinamide, D-phenylalanyl-L-cysteinyl-3-(iodo-125I)-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-, cyclic (2->7)-disulfide
  • Tyr(3)-octreotide I-125
  • UNII-H74I859N9S

Registry Numbers

CAS Registry Number

  • 113202-69-0

FDA UNII

  • H74I859N9S

System Generated Number

  • 0113202690

Structure Descriptors

InChI

1S/C49H65IN10O11S2/c1-26(62)38(23-61)57-48(70)40-25-73-72-24-39(58-43(65)33(52)19-28-10-4-3-5-11-28)47(69)55-36(20-29-15-16-41(64)32(50)18-29)45(67)56-37(21-30-22-53-34-13-7-6-12-31(30)34)46(68)54-35(14-8-9-17-51)44(66)60-42(27(2)63)49(71)59-40/h3-7,10-13,15-16,18,22,26-27,33,35-40,42,53,61-64H,8-9,14,17,19-21,23-25,51-52H2,1-2H3,(H,54,68)(H,55,69)(H,56,67)(H,57,70)(H,58,65)(H,59,71)(H,60,66)/t26-,27-,33-,35+,36+,37-,38-,39+,40+,42+/m1/s1/i50-2

InChIKey

HAEDWNRNLYOMDG-SVNYDLRTSA-N

Smiles

C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc3ccc(O)c([125I])c3)C(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1