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Substance Name: Vasopressin, 2-(O-methyl-L-tyrosine)-8-L-lysine
RN: 31025-42-0
InChIKey: XHHCHEZGNAKTDL-VTGDPKQBSA-N

Molecular Formula

  • C47-H67-N13-O12-S2

Molecular Weight

  • 1070.26
 
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Names and Synonyms

Synonyms

  • O-Methyl-tyrosine-2 lysine-8 vasopressin
  • Omtlv
  • Vasopressin, 2-(3-(p-methoxyphenyl)-L-alanine)-8-L-lysine

Systematic Name

  • Vasopressin, 2-(O-methyl-L-tyrosine)-8-L-lysine

Registry Numbers

CAS Registry Number

  • 31025-42-0

System Generated Number

  • 0031025420

Structure Descriptors

InChI

1S/C47H67N13O12S2/c1-72-28-14-12-27(13-15-28)21-32-44(68)57-33(20-26-8-3-2-4-9-26)43(67)54-31(16-17-37(50)61)42(66)58-34(22-38(51)62)45(69)59-35(25-74-73-24-29(49)40(64)56-32)47(71)60-19-7-11-36(60)46(70)55-30(10-5-6-18-48)41(65)53-23-39(52)63/h2-4,8-9,12-15,29-36H,5-7,10-11,16-25,48-49H2,1H3,(H2,50,61)(H2,51,62)(H2,52,63)(H,53,65)(H,54,67)(H,55,70)(H,56,64)(H,57,68)(H,58,66)(H,59,69)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1

InChIKey

XHHCHEZGNAKTDL-VTGDPKQBSA-N

Smiles

C(CCC[C@@H](C(NCC(N)=O)=O)NC(=O)[C@H]1N(CCC1)C(=O)[C@H]1NC([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC([C@@H](NC(=O)[C@H](CSSC1)N)Cc1ccc(cc1)OC)=O)Cc1ccccc1)CCC(N)=O)CC(N)=O)=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 500iu/kg (500iu/kg)   Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 415, 1963.