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Substance Name: Vasotocin, 1-(3-mercaptopropanoic acid)-8-arg-
RN: 38679-66-2
InChIKey: MKIGJWTYIAFGIM-UHFFFAOYSA-N

Note

  • Desamino analog of arginine vasotocin.

Molecular Formula

  • C43-H66-N14-O12-S2

Molecular Weight

  • 1035.2124
 
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Names and Synonyms

Name of Substance

  • Vasotocin, 1-(3-mercaptopropanoic acid)-8-arg-

Synonyms

  • 8-Arg-1-(3-mercaptopropanoic acid)vasotocin
  • 8-Arginine-1-(3-mercaptopropanoic acid)vasotocin
  • dAVT
  • Vasotocin, 1-(3-mercaptopropanoic acid)-8-arginine

Systematic Name

  • Oxytocin, 1-(3-mercaptopropanoic acid)-8-L-arginine-

Registry Numbers

CAS Registry Number

  • 38679-66-2

System Generated Number

  • 0038679662

Structure Descriptors

InChI

1S/C43H66N14O12S2/c1-3-22(2)35-41(68)53-26(12-13-31(44)59)37(64)54-28(19-32(45)60)38(65)55-29(21-71-70-17-14-34(62)51-27(39(66)56-35)18-23-8-10-24(58)11-9-23)42(69)57-16-5-7-30(57)40(67)52-25(6-4-15-49-43(47)48)36(63)50-20-33(46)61/h8-11,22,25-30,35,58H,3-7,12-21H2,1-2H3,(H2,44,59)(H2,45,60)(H2,46,61)(H,50,63)(H,51,62)(H,52,67)(H,53,68)(H,54,64)(H,55,65)(H,56,66)(H4,47,48,49)

InChIKey

MKIGJWTYIAFGIM-UHFFFAOYSA-N

Smiles

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)Cc2ccc(cc2)O)C(=O)N3CCCC3C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N