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Substance Name: Asvatocin
RN: 144334-52-1
InChIKey: GUXCJKRYHLCHKV-UHFFFAOYSA-N

Note

  • Isolated from the spotted dogfish Scyliorhinus caniculus.

Molecular Weight

  • 979.145
 
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Names and Synonyms

Name of Substance

  • Asvatocin

Synonyms

  • 4-Asn-8-val-oxytocin
  • Oxytocin, asn(4)-val(8)-
  • Oxytocin, asparaginyl(4)-valyl(8)-

Systematic Name

  • Oxytocin, 4-L-asparagine-8-L-valine-

Registry Numbers

CAS Registry Number

  • 144334-52-1

System Generated Number

  • 0144334521

Structure Descriptors

InChI

1S/C41H62N12O12S2/c1-5-20(4)33-40(64)49-26(15-30(44)56)35(59)48-25(14-29(43)55)36(60)50-27(41(65)53-12-6-7-28(53)38(62)51-32(19(2)3)39(63)46-16-31(45)57)18-67-66-17-23(42)34(58)47-24(37(61)52-33)13-21-8-10-22(54)11-9-21/h8-11,19-20,23-28,32-33,54H,5-7,12-18,42H2,1-4H3,(H2,43,55)(H2,44,56)(H2,45,57)(H,46,63)(H,47,58)(H,48,59)(H,49,64)(H,50,60)(H,51,62)(H,52,61)

InChIKey

GUXCJKRYHLCHKV-UHFFFAOYSA-N

Smiles

C(C(=O)N)[C@@H]1NC(=O)[C@@H](NC([C@@H](NC([C@@H](CSSC[C@@H](NC([C@@H](CC(N)=O)NC1=O)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(C)C)C(=O)NCC(N)=O)N)=O)Cc1ccc(cc1)O)=O)[C@@H](C)CC