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Substance Name: Oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-trp(2)-arg(8)-
RN: 133851-41-9
InChIKey: JHUUTRDPYDXZJI-UHUBCKHXSA-N

Note

  • Oxytocin antagonist.

Molecular Formula

  • C50-H75-N15-O11-S2

Molecular Weight

  • 1126.3685
 
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Names and Synonyms

Name of Substance

  • Oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-trp(2)-arg(8)-

Synonyms

  • beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid-2-trp-8-arg-oxytocin
  • OMCPTA
  • Oxytocin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid-tryptophyl(2)-arginine(8)-

Systematic Name

  • Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-2-L-tryptophan-8-L-arginine-

Registry Numbers

CAS Registry Number

  • 133851-41-9

System Generated Number

  • 0133851419

Structure Descriptors

InChI

1S/C50H75N15O11S2/c1-3-27(2)41(64-45(73)33(21-28-24-57-30-12-6-5-11-29(28)30)59-40(69)23-50(78)17-7-4-8-18-50)47(75)61-32(15-16-37(51)66)43(71)62-34(22-38(52)67)44(72)63-35(26-77)48(76)65-20-10-14-36(65)46(74)60-31(13-9-19-56-49(54)55)42(70)58-25-39(53)68/h5-6,11-12,24,26-27,31-36,41,57,78H,3-4,7-10,13-23,25H2,1-2H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,58,70)(H,59,69)(H,60,74)(H,61,75)(H,62,71)(H,63,72)(H,64,73)(H4,54,55,56)/t27-,31-,32-,33-,34-,35-,36-,41-/m0/s1

InChIKey

JHUUTRDPYDXZJI-UHUBCKHXSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CC4(CCCCC4)S