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Substance Name: Argipressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-
RN: 119617-72-0
InChIKey: LFQFIBYCRPIIQR-VCAUYVTFSA-N

Note

  • Vasopressin antagonist.

Molecular Formula

  • C55-H80-N14-O12-S2

Molecular Weight

  • 1193.455
 
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Names and Synonyms

Name of Substance

  • Argipressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-

Synonyms

  • 1-(4-tert-Butyl-1-mercaptocyclohexaneacetic acid)-argipressin
  • Arginine vasopressin, (4-tert-butyl-1-mercaptocyclohexaneacetic acid)(1)-
  • Bcadavp

Systematic Name

  • Vasopressin, 1-(4-(1,1-dimethylethyl)-1-mercaptocyclohexaneacetic acid)-8-D-arginine-

Registry Numbers

CAS Registry Number

  • 119617-72-0

System Generated Number

  • 0119617720

Structure Descriptors

InChI

1S/C55H80N14O12S2/c1-54(2,3)33-19-21-55(83,22-20-33)28-45(74)63-37(26-32-13-15-34(70)16-14-32)48(77)66-38(25-31-9-5-4-6-10-31)49(78)64-36(17-18-42(56)71)47(76)67-39(27-43(57)72)50(79)68-40(30-82)52(81)69-24-8-12-41(69)51(80)65-35(11-7-23-61-53(59)60)46(75)62-29-44(58)73/h4-6,9-10,13-16,30,33,35-41,70,83H,7-8,11-12,17-29H2,1-3H3,(H2,56,71)(H2,57,72)(H2,58,73)(H,62,75)(H,63,74)(H,64,78)(H,65,80)(H,66,77)(H,67,76)(H,68,79)(H4,59,60,61)/t33?,35-,36+,37+,38+,39+,40+,41+,55?/m1/s1

InChIKey

LFQFIBYCRPIIQR-VCAUYVTFSA-N

Smiles

CC(C)(C)C1CCC(CC1)(CC(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](Cc3ccccc3)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)N4CCC[C@H]4C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC(=O)N)S