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Substance Name: Oxytocin, pen(1)-(4-mephe)(2)-thr(4)-orn(8)-
RN: 106128-84-1
InChIKey: BBVOEYWBXSEVSR-VEIIYQESSA-N

Note

  • An oxytocin antagonist.

Molecular Formula

  • C44-H70-N12-O11-S2

Molecular Weight

  • 1007.24
 
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Names and Synonyms

Name of Substance

  • Oxytocin, pen(1)-(4-mephe)(2)-thr(4)-orn(8)-

Synonyms

  • (1-Penicillamine,2-p-methyl-phenylalanine,4-threonine,8-ornithine)vasotocin
  • 1-Pen-2-(mephe)-4-thr-8-orn-oxytocin
  • Opmpto
  • Oxytocin, pen(1)-(4-mephe)(2)-thr(4)-orn(8)-
  • Oxytocin, penicillaminyl(1)-(4-methylphenylalanyl)(2)-threonyl(4)-ornithine(8)-
  • P(Phe(Me)(2),thr(4))ovt

Systematic Name

  • Oxytocin, 1-(3-mercapto-L-valine)-2-(4-methyl-L-phenylalanine)-4-L-threonine-8-L-ornithine-

Registry Numbers

CAS Registry Number

  • 106128-84-1

System Generated Number

  • 0106128841

Structure Descriptors

InChI

1S/C44H70N12O11S2/c1-7-23(3)33-40(64)55-34(24(4)57)41(65)51-28(19-31(46)58)37(61)53-29(43(67)56-17-9-11-30(56)39(63)50-26(10-8-16-45)36(60)49-20-32(47)59)21-68-69-44(5,6)35(48)42(66)52-27(38(62)54-33)18-25-14-12-22(2)13-15-25/h12-15,23-24,26-30,33-35,57H,7-11,16-21,45,48H2,1-6H3,(H2,46,58)(H2,47,59)(H,49,60)(H,50,63)(H,51,65)(H,52,66)(H,53,61)(H,54,62)(H,55,64)/t23-,24+,26-,27-,28-,29-,30?,33?,34-,35+/m0/s1

InChIKey

BBVOEYWBXSEVSR-VEIIYQESSA-N

Smiles

c1(ccc(cc1)C)C[C@H]1C(N[C@@H](C(N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N2[C@@H](CCC2)C(N[C@@H](CCCN)C(=O)NCC(=O)N)=O)CSSC([C@@H](C(N1)=O)N)(C)C)[C@@H](C)O)=O)[C@H](CC)C)=O