Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EE 581
RN: 141949-00-0
InChIKey: UMMVUDFAAZGEKC-LOWOIFONSA-N

Note

  • Photosensitive azido derivative of tyrosine(3)-octreotide used to label the somatostatin receptor.

Molecular Formula

  • C49-H65-N13-O11-S2

Molecular Weight

  • 1076.2645
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • EE 581

Synonyms

  • Azidophenylalanyl-cysteinyl-tyrosyl-tryptophyl-lysyl-threonyl-cysteinyl-threonin-ol
  • EE-581
  • Phe(N3)-cys-tyr-trp-lys-thr-cys-thr-ol

Systematic Name

  • L-Cysteinamide, 4-azido-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

  • 141949-00-0

System Generated Number

  • 0141949000

Structure Descriptors

InChI

1S/C49H65N13O11S2/c1-25(53-42(68)33(51)20-28-11-15-30(16-12-28)61-62-52)41(67)56-36(21-29-13-17-31(66)18-14-29)44(70)57-37(22-49-32-8-4-5-9-34(32)58-48(49)75-49)45(71)55-35(10-6-7-19-50)43(69)59-40(27(3)65)47(73)60-46(72)39(24-74)54-38(23-63)26(2)64/h4-5,8-9,11-19,25-27,33,35-40,48,50,54,58,63-66,74H,6-7,10,20-24,51H2,1-3H3,(H,53,68)(H,55,71)(H,56,67)(H,57,70)(H,59,69)(H,60,72,73)/t25-,26?,27+,33+,35-,36-,37+,38?,39-,40-,48+,49?/m0/s1

InChIKey

UMMVUDFAAZGEKC-LOWOIFONSA-N

Smiles

C[C@H]([C@@H](C(=O)NC(=O)[C@H](CS)NC(CO)C(C)O)NC(=O)[C@H](CCCC=N)NC(=O)[C@@H](CC12c3ccccc3N[C@@H]1S2)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)[C@H](C)NC(=O)[C@@H](Cc5ccc(cc5)N=[N+]=[N-])N)O