Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Oxytocin, penicillamyl(1)-thr(4)-
RN: 78578-24-2
InChIKey: JEABNJWJOWZLGU-FFABKICPSA-N

Note

  • Oxytocin antagonist.

Molecular Weight

  • 1008.23
 
* 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

  • Oxytocin, penicillamyl(1)-thr(4)-

Synonyms

  • 1-Penicillamyl-4-thr-oxytocin
  • 1-PT-Oxytocin
  • Oxytocin, penicillamyl(1)-threonine(4)-

Systematic Name

  • Oxytocin, 1-(3-mercapto-D-valine)-4-L-threonine-

Registry Numbers

CAS Registry Number

  • 78578-24-2

System Generated Number

  • 0078578242

Structure Descriptors

InChI

1S/C44H69N11O12S2/c1-8-22(4)33-40(64)54-34(23(5)56)41(65)50-28(18-31(45)58)37(61)52-29(43(67)55-15-9-10-30(55)39(63)49-26(16-21(2)3)36(60)48-19-32(46)59)20-68-69-44(6,7)35(47)42(66)51-27(38(62)53-33)17-24-11-13-25(57)14-12-24/h11-14,21-23,26-30,33-35,56-57H,8-10,15-20,47H2,1-7H3,(H2,45,58)(H2,46,59)(H,48,60)(H,49,63)(H,50,65)(H,51,66)(H,52,61)(H,53,62)(H,54,64)/t22-,23+,26-,27-,28-,29-,30-,33?,34-,35-/m0/s1

InChIKey

JEABNJWJOWZLGU-FFABKICPSA-N

Smiles

Oc1ccc(C[C@@H]2NC(=O)[C@H](N)C(SSC[C@H](NC(=O)[C@H](CC(N)=O)NC([C@H]([C@H](O)C)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(NCC(N)=O)=O)CC(C)C)(C)C)cc1