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Substance Name: Vasotocin, 1-(beta-mercapto-beta,beta-diethylpropionic acid)-(oet-tyr)(2)-orn(8)-
RN: 77327-44-7
InChIKey: UYGMRHUEMYYFAR-UHFFFAOYSA-N

Note

  • Oxytocin antagonist.

Molecular Formula

  • C48-H76-N12-O12-S2

Molecular Weight

  • 1077.33
 
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Names and Synonyms

Name of Substance

  • Vasotocin, 1-(beta-mercapto-beta,beta-diethylpropionic acid)-(oet-tyr)(2)-orn(8)-

Synonyms

  • 1-(beta-Mercapto-beta,beta-diethylpropionic acid)-2-(oet-tyr)-8-orn-vasotocin
  • Det-tyr(Et)ovt
  • Vasotocin, 1-(beta-mercapto-beta,beta-diethylpropionic acid)-O-ethyltyrosyl(2)-ornithine(8)-

Systematic Name

  • Oxytocin, 1-(3-ethyl-3-mercaptopentanoic acid)-2-(O-ethyl-L-tyrosine)-8-L-ornithine-

Registry Numbers

CAS Registry Number

  • 77327-44-7

System Generated Number

  • 0077327447

Structure Descriptors

InChI

1S/C48H76N12O12S2/c1-6-27(5)40-46(70)56-31(18-19-36(50)61)42(66)57-33(23-37(51)62)43(67)58-34(47(71)60-21-11-13-35(60)45(69)55-30(12-10-20-49)41(65)53-25-38(52)63)26-73-74-48(7-2,8-3)24-39(64)54-32(44(68)59-40)22-28-14-16-29(17-15-28)72-9-4/h14-17,27,30-35,40H,6-13,18-26,49H2,1-5H3,(H2,50,61)(H2,51,62)(H2,52,63)(H,53,65)(H,54,64)(H,55,69)(H,56,70)(H,57,66)(H,58,67)(H,59,68)

InChIKey

UYGMRHUEMYYFAR-UHFFFAOYSA-N

Smiles

C([C@@H]1C(N[C@@H](CSSC(CC)(CC)CC(=O)N[C@@H](C(=O)N[C@@H]([C@@H](CC)C)C(N[C@@H](CCC(N)=O)C(=O)N1)=O)Cc1ccc(cc1)OCC)C(=O)N1CCC[C@@H]1C(N[C@@H](C(=O)NCC(N)=O)CCCN)=O)=O)C(=O)N