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Substance Name: Argipressin, val(4)-
RN: 52049-52-2
InChIKey: JITASQOSGITBPR-FMCGBTBPSA-N

Molecular Formula

  • C46-H66-N14-O11-S2

Molecular Weight

  • 1055.25
 
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Names and Synonyms

Name of Substance

  • Argipressin, val(4)-

Synonyms

  • 4-Val-argipressin
  • Arginine vasopressin, val(4)-
  • Argipressin, valine(4)-
  • VDAVP

Systematic Name

  • Vasopressin, 4-L-valine-8-D-arginine-

Registry Numbers

CAS Registry Number

  • 52049-52-2

System Generated Number

  • 0052049522

Structure Descriptors

InChI

1S/C46H66N14O11S2/c1-24(2)37-44(70)57-32(20-35(48)62)41(67)58-33(45(71)60-17-7-11-34(60)43(69)54-29(10-6-16-52-46(50)51)39(65)53-21-36(49)63)23-73-72-22-28(47)38(64)55-30(19-26-12-14-27(61)15-13-26)40(66)56-31(42(68)59-37)18-25-8-4-3-5-9-25/h3-5,8-9,12-15,24,28-34,37,61H,6-7,10-11,16-23,47H2,1-2H3,(H2,48,62)(H2,49,63)(H,53,65)(H,54,69)(H,55,64)(H,56,66)(H,57,70)(H,58,67)(H,59,68)(H4,50,51,52)/t28-,29+,30-,31-,32-,33-,34-,37-/m0/s1

InChIKey

JITASQOSGITBPR-FMCGBTBPSA-N

Smiles

C(=O)([C@@H]1CCCN1C([C@@H]1CSSC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N1)CC(N)=O)Cc1ccc(O)cc1)=O)N[C@H](CCCNC(=N)N)C(=O)NCC(N)=O