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Substance Name: Argipressin, (1-mercaptocyclohexaneacetic acid)(1)-ile(2)-val(4)-
RN: 81094-06-6
InChIKey: GEDADTLYAYNOHV-GITLXGQASA-N

Note

  • Argipressin antagonist.

Molecular Formula

  • C48-H75-N13-O10-S2

Molecular Weight

  • 1058.3335
 
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Names and Synonyms

Name of Substance

  • Argipressin, (1-mercaptocyclohexaneacetic acid)(1)-ile(2)-val(4)-

Synonyms

  • 1-(1-Mercaptocyclohexaneacetic acid) 2-ile-4-val-argipressin
  • 1-(beta-Mercapto-beta,beta-pentamethylenepropionic acid)-2-ile-4-val-argipressin
  • Arginine vasopressin, (1-mercaptocyclohexaneacetic acid)(1)-ile(2)-val(4)-
  • Argipressin, (1-mercaptocyclohexaneacetic acid)(1)-isoleucyl(2)-valine(4)-
  • Vmciva

Systematic Name

  • Vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-D-isoleucine-4-L-valine-8-L-arginine-

Registry Numbers

CAS Registry Number

  • 81094-06-6

System Generated Number

  • 0081094066

Structure Descriptors

InChI

1S/C48H75N13O10S2/c1-5-28(4)39-45(70)56-31(22-29-14-8-6-9-15-29)42(67)60-38(27(2)3)44(69)57-32(23-35(49)62)41(66)58-33(26-72-73-48(24-37(64)59-39)18-10-7-11-19-48)46(71)61-21-13-17-34(61)43(68)55-30(16-12-20-53-47(51)52)40(65)54-25-36(50)63/h6,8-9,14-15,27-28,30-34,38-39H,5,7,10-13,16-26H2,1-4H3,(H2,49,62)(H2,50,63)(H,54,65)(H,55,68)(H,56,70)(H,57,69)(H,58,66)(H,59,64)(H,60,67)(H4,51,52,53)/t28-,30-,31-,32-,33-,34-,38-,39+/m0/s1

InChIKey

GEDADTLYAYNOHV-GITLXGQASA-N

Smiles

[H]/N=C(\N)/NCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC3(CCCCC3)CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)C(C)C)Cc4ccccc4)[C@@H](C)CC