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Substance Name: Vasopressin, beta-mercapto beta,beta-cyclopentamethylenepropionic acid(1)-O-ethyl-tyr(2)-val(4)-cit(8)-
RN: 92954-83-1
InChIKey: TTYMCOJYEUAKBL-KNZUBDGPSA-N

Note

  • Vasopressin receptor antagonist and oxytocin antagonist.

Molecular Formula

  • C53-H76-N12-O12-S2

Molecular Weight

  • 1137.39
 
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Names and Synonyms

Name of Substance

  • Vasopressin, beta-mercapto beta,beta-cyclopentamethylenepropionic acid(1)-O-ethyl-tyr(2)-val(4)-cit(8)-

Synonyms

  • (beta Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-(O-Et-tyr)-4-val-8-cit vasopressin
  • 1-(1-Mercaptocyclohexaneacetic acid)-2-(O-ethyl-D-tyrosine)-4-L-valine-8-(N5-(aminocarbonyl)-L-ornithine)vasopressin
  • d(CH2)5Tyr(Oet)2,val(4),cit(8) vasopressin
  • TEVCV
  • Vasopressin,beta-mercapto beta,beta-cyclopentamethylenepropionic acid(1)-O-ethyltyrosyl(2)-valyl(4)-citrulline(8)-

Systematic Name

  • Vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(O-ethyl-D-tyrosine)-4-L-valine-8-(N5-(aminocarbonyl)-L-ornithine)-

Registry Numbers

CAS Registry Number

  • 92954-83-1

System Generated Number

  • 0092954831

Structure Descriptors

InChI

1S/C53H76N12O12S2/c1-4-77-34-19-17-33(18-20-34)26-36-46(70)61-37(25-32-13-7-5-8-14-32)48(72)64-44(31(2)3)50(74)62-38(27-41(54)66)47(71)63-39(30-78-79-53(28-43(68)59-36)21-9-6-10-22-53)51(75)65-24-12-16-40(65)49(73)60-35(15-11-23-57-52(56)76)45(69)58-29-42(55)67/h5,7-8,13-14,17-20,31,35-40,44H,4,6,9-12,15-16,21-30H2,1-3H3,(H2,54,66)(H2,55,67)(H,58,69)(H,59,68)(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,72)(H3,56,57,76)/t35?,36-,37-,38+,39+,40+,44+/m1/s1

InChIKey

TTYMCOJYEUAKBL-KNZUBDGPSA-N

Smiles

NC(CNC(=O)[C@@H](CCCNC(=O)N)NC([C@@H]1CCCN1C([C@H]1NC([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@H](NC(CC2(SSC1)CCCCC2)=O)Cc1ccc(cc1)OCC)=O)Cc1ccccc1)C(C)C)CC(=O)N)=O)=O)=O)=O