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Substance Name: Argipressin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-O-methyl-tyr(2)-tyrnh2(9)-
RN: 114872-15-0
InChIKey: JCTXIQOEEDLTJO-QVWIHFFISA-N

Note

  • Vasopressin antagonist.

Molecular Formula

  • C59-H80-N14-O13-S2

Molecular Weight

  • 1257.498
 
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Names and Synonyms

Name of Substance

  • Argipressin, beta mercapto-beta,beta-cyclopentamethylenepropionic acid(1)-O-methyl-tyr(2)-tyrnh2(9)-

Synonyms

  • 1-(1-Mercaptocyclohexaneacetic acid)-2-(O-methyl-L-tyrosine)-8-L-arginine-9-L-tyrosinamidevasopressin
  • 1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-(O-methyl-tyr)-8-L-arginine-9-tyrNH2-vasopressin
  • Arginine vasopressin, beta-mercapto-beta,beta cyclopentamethylenepropionic acid(1)-O-methyl-tyr(2)-tyrnh2(9)-
  • Argipressin, beta-mercapto-(beta,beta-cyclopentamethylenepropionic acid)(1)-O-methyltyrosyl(2)-tyrosinamide(9)-
  • Ctmtn-avp
  • d(CH2)5Tyr(Me)(2)Tyr(NH2)(9)-avp

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 114872-15-0

System Generated Number

  • 0114872150

Structure Descriptors

InChI

1S/C59H80N14O13S2/c1-86-38-20-16-36(17-21-38)28-41(50(62)78)69-51(79)39(12-8-26-65-58(63)64)68-56(84)46-13-9-27-73(46)57(85)45(33-87)72-55(83)44(31-48(61)76)71-52(80)40(22-23-47(60)75)67-54(82)43(29-34-10-4-2-5-11-34)70-53(81)42(30-35-14-18-37(74)19-15-35)66-49(77)32-59(88)24-6-3-7-25-59/h2,4-5,10-11,14-21,33,39-46,74,88H,3,6-9,12-13,22-32H2,1H3,(H2,60,75)(H2,61,76)(H2,62,78)(H,66,77)(H,67,82)(H,68,84)(H,69,79)(H,70,81)(H,71,80)(H,72,83)(H4,63,64,65)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1

InChIKey

JCTXIQOEEDLTJO-QVWIHFFISA-N

Smiles

COc1ccc(cc1)C[C@@H](C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C=S)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc4ccc(cc4)O)NC(=O)CC5(CCCCC5)S