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Substance Name: Argipressin, beta-mercapto-beta, beta-cyclopentamethylenepropionic acid(1)-O-methyl-tyr(2)-lysnh2(9)-
RN: 135484-51-4
InChIKey: BNRRGFIABYAUHP-AQJXLSMYSA-N

Note

  • Vasopressin receptor ligand.

Molecular Formula

  • C56-H83-N15-O12-S2

Molecular Weight

  • 1222.4967
 
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Names and Synonyms

Name of Substance

  • Argipressin, beta-mercapto-beta, beta-cyclopentamethylenepropionic acid(1)-O-methyl-tyr(2)-lysnh2(9)-

Synonyms

  • 1beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid 2-(O-methyltyr)-9-lysNH2-avp
  • ALVP
  • Argipressin, beta mercapto-(beta,beta-cyclopentamethylenepropionic acid)(1)-O-methyltyrosyl(2)-lysinamide(9)-
  • d(Ch2)5Tyr(Me)(2)LysNH2(9)-avp

Systematic Name

  • Vasopressin, 1-(1-mercaptocyclohexaneacetic acid)-2-(O-methyl-L-tyrosine)-8-L_arginine-9-L-lysinamide-

Registry Numbers

CAS Registry Number

  • 135484-51-4

System Generated Number

  • 0135484514

Structure Descriptors

InChI

1S/C56H83N15O12S2/c1-83-35-19-17-34(18-20-35)29-39(64-46(74)31-56(85)23-7-3-8-24-56)50(78)68-40(28-33-12-4-2-5-13-33)51(79)66-38(21-22-44(58)72)49(77)69-41(30-45(59)73)52(80)70-42(32-84)54(82)71-27-11-16-43(71)53(81)67-37(15-10-26-63-55(61)62)48(76)65-36(47(60)75)14-6-9-25-57/h2,4-5,12-13,17-20,32,36-43,85H,3,6-11,14-16,21-31,57H2,1H3,(H2,58,72)(H2,59,73)(H2,60,75)(H,64,74)(H,65,76)(H,66,79)(H,67,81)(H,68,78)(H,69,77)(H,70,80)(H4,61,62,63)/t36-,37-,38-,39-,40-,41-,42-,43-/m0/s1

InChIKey

BNRRGFIABYAUHP-AQJXLSMYSA-N

Smiles

COc1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)CC4(CCCCC4)S