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Substance Name: Oxytocin, mpa(1)-cyclo(glu(4)-lys(8))-
RN: 125666-62-8
InChIKey: LFKZJWPKJWLCPZ-RROUQNFWSA-N

Note

  • An oxytocin antagonist.

Molecular Formula

  • C43-H63-N11-O12-S2

Molecular Weight

  • 990.1677
 
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Names and Synonyms

Name of Substance

  • Oxytocin, mpa(1)-cyclo(glu(4)-lys(8))-

Synonyms

  • 1-Mpa-cyclo(4-glu-8-lys)-oxytocin
  • Oxytocin, beta mercaptopropionic acid(1)-cyclo(glutamyl(4)-lysyl(8))-

Systematic Name

  • Oxytocin, 1-(3-mercaptopropanoic acid)-4-L-glutamic acid-8-L-lysine-, cyclic(4-8)-peptide

Registry Numbers

CAS Registry Number

  • 125666-62-8

System Generated Number

  • 0125666628

Structure Descriptors

InChI

1S/C43H63N11O12S2/c1-3-23(2)36-42(65)47-20-25-18-35(59)46-14-5-4-7-27(38(61)48-21-33(45)57)50-41(64)31-8-6-15-54(31)43(66)30(52-39(62)29(19-32(44)56)51-37(25)60)22-68-67-16-13-34(58)49-28(40(63)53-36)17-24-9-11-26(55)12-10-24/h9-12,23,25,27-31,36,55H,3-8,13-22H2,1-2H3,(H2,44,56)(H2,45,57)(H,46,59)(H,47,65)(H,48,61)(H,49,58)(H,50,64)(H,51,60)(H,52,62)(H,53,63)/t23-,25?,27-,28-,29-,30?,31?,36-/m0/s1

InChIKey

LFKZJWPKJWLCPZ-RROUQNFWSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)NCC2CC(=O)NCCCC[C@H](NC(=O)C3CCCN3C(=O)C(CSSCCC(=O)N[C@H](C(=O)N1)Cc4ccc(cc4)O)NC(=O)[C@@H](NC2=O)CC(=O)N)C(=O)NCC(=O)N