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Substance Name: Argipressin, 1-(beta-mercapto-beta,beta-diethylpropionic acid)-
RN: 81131-88-6
InChIKey: IEHQFQZNFZQAQD-UHFFFAOYSA-N

Note

  • Vasopressin antagonist.

Molecular Formula

  • C50-H72-N14-O12-S2

Molecular Weight

  • 1125.3368
 
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Names and Synonyms

Name of Substance

  • Argipressin, 1-(beta-mercapto-beta,beta-diethylpropionic acid)-

Synonyms

  • (1-(beta-Mercapto-beta,beta-diethylpropionic acid))-argipressin
  • 1-(3-Ethyl-3-mercaptopentanoic acid)-8-L-argininevasopressin
  • Arginine vasopressin, 1-(beta-mercapto-beta,beta-diethylpropionic acid)-
  • Det(2)avp

Systematic Name

  • Vasopressin, 1-(3-ethyl-3-mercaptopentanoic acid)-8-L-arginine-

Registry Numbers

CAS Registry Number

  • 81131-88-6

System Generated Number

  • 0081131886

Structure Descriptors

InChI

1S/C50H72N14O12S2/c1-3-50(4-2)25-41(69)58-33(23-29-14-16-30(65)17-15-29)44(72)61-34(22-28-10-6-5-7-11-28)45(73)59-32(18-19-38(51)66)43(71)62-35(24-39(52)67)46(74)63-36(27-77-78-50)48(76)64-21-9-13-37(64)47(75)60-31(12-8-20-56-49(54)55)42(70)57-26-40(53)68/h5-7,10-11,14-17,31-37,65H,3-4,8-9,12-13,18-27H2,1-2H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,57,70)(H,58,69)(H,59,73)(H,60,75)(H,61,72)(H,62,71)(H,63,74)(H4,54,55,56)

InChIKey

IEHQFQZNFZQAQD-UHFFFAOYSA-N

Smiles

CCC1(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSS1)C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)Cc3ccccc3)Cc4ccc(cc4)O)CC