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Substance Name: Argipressin, 1-(4-thio-4-tetrahydropyranoacetic acid)-O-Et-tyr(2)-val(4)-
RN: 133073-75-3
InChIKey: XXXUGLWSEMXTRO-DRLAMOGNSA-N

Note

  • Argipressin antagonist.

Molecular Formula

  • C52-H75-N13-O12-S2

Molecular Weight

  • 1138.3755
 
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Names and Synonyms

Name of Substance

  • Argipressin, 1-(4-thio-4-tetrahydropyranoacetic acid)-O-Et-tyr(2)-val(4)-

Synonyms

  • 1-(4-Thio-4-tetrahydropyranoacetic acid)-2-(O-Et-tyr)-4-val-arginine vasopressin
  • Argipressin, 1-(4-thio-4-tetrahydropyranoacetic acid)-O-ethyltyrosyl(2)-valine(4)-
  • Ocad-T-V-avp

Systematic Name

  • Vasopressin, 1-(tetrahydro-4-mercapto-2H-pyran-4-acetic acid)-2-(O-ethyl-D-tyrosine)-4-L-valine-8-L-arginine-

Registry Numbers

CAS Registry Number

  • 133073-75-3

System Generated Number

  • 0133073753

Structure Descriptors

InChI

1S/C52H75N13O12S2/c1-4-77-33-16-14-32(15-17-33)25-35-45(70)61-36(24-31-10-6-5-7-11-31)47(72)64-43(30(2)3)49(74)62-37(26-40(53)66)46(71)63-38(29-78-79-52(27-42(68)59-35)18-22-76-23-19-52)50(75)65-21-9-13-39(65)48(73)60-34(12-8-20-57-51(55)56)44(69)58-28-41(54)67/h5-7,10-11,14-17,30,34-39,43H,4,8-9,12-13,18-29H2,1-3H3,(H2,53,66)(H2,54,67)(H,58,69)(H,59,68)(H,60,73)(H,61,70)(H,62,74)(H,63,71)(H,64,72)(H4,55,56,57)/t34-,35+,36-,37-,38-,39-,43-/m0/s1

InChIKey

XXXUGLWSEMXTRO-DRLAMOGNSA-N

Smiles

CCOc1ccc(cc1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC3(CCOCC3)CC(=O)N2)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)C(C)C)Cc5ccccc5