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Substance Name: Argipressin, beta-mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-ile(2)-abu(4)-
RN: 88686-52-6
InChIKey: KCDXMAZNNZDJDC-UGTPRSSHSA-N

Note

  • An arginine vasopressin (AVP) V2 receptor antagonist.

Molecular Formula

  • C47-H73-N13-O10-S2

Molecular Weight

  • 1044.31
 
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Names and Synonyms

Name of Substance

  • Argipressin, beta-mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-ile(2)-abu(4)-

Synonyms

  • 1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-ile-4-abu-argipressin
  • Arginine vasopressin,beta-mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-ile(2)-abu(4)-
  • Argipressin, beta-mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-isoleucyl(2)-aminobutanoic acid(4)-
  • d(CH2)5(D-Ile(2),abu(4))avp
  • d(CH2)5-2-Ile-4-abu-argipressin
  • d(CH2)5-Ile(2)-abu(4)-avp

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 88686-52-6

System Generated Number

  • 0088686526

Structure Descriptors

InChI

1S/C47H73N13O10S2/c1-4-27(3)38(58-36(62)24-47(72)18-10-7-11-19-47)44(69)56-31(22-28-14-8-6-9-15-28)41(66)55-32(23-35(49)61)42(67)57-33(26-71)45(70)60-21-13-17-34(60)43(68)54-30(16-12-20-52-46(50)51)40(65)53-25-37(63)59-39(64)29(48)5-2/h6,8-9,14-15,26-27,29-34,38,72H,4-5,7,10-13,16-25,48H2,1-3H3,(H2,49,61)(H,53,65)(H,54,68)(H,55,66)(H,56,69)(H,57,67)(H,58,62)(H4,50,51,52)(H,59,63,64)/t27-,29?,30+,31+,32+,33+,34+,38-/m1/s1

InChIKey

KCDXMAZNNZDJDC-UGTPRSSHSA-N

Smiles

C(CNC([C@@H](NC([C@H]1N(CCC1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@H](NC(=O)CC1(CCCCC1)S)[C@@H](CC)C)=O)Cc1ccccc1)=O)CC(=O)N)=O)C=S)=O)=O)CCCNC(=N)N)=O)(=O)NC([C@@H](CC)N)=O