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Substance Name: Phasvatocin
RN: 144334-53-2
InChIKey: DAHCMEORVXDYEP-UHFFFAOYSA-N

Note

  • Isolated from the spotted dogfish Scyliorhinus caniculus.

Molecular Weight

  • 1013.16
 
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Names and Synonyms

Name of Substance

  • Phasvatocin

Synonyms

  • 3-Phe-4-asn-8-val-oxytocin
  • Oxytocin, phe(3)-asn(4)-val(8)-
  • Oxytocin, phenylalanyl(3)-asparaginyl(4)-valyl(8)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 144334-53-2

System Generated Number

  • 0144334532

Structure Descriptors

InChI

1S/C44H60N12O12S2/c1-22(2)36(43(67)49-19-35(48)60)55-42(66)32-9-6-14-56(32)44(68)31-21-70-69-20-26(45)37(61)50-27(16-24-10-12-25(57)13-11-24)38(62)51-28(15-23-7-4-3-5-8-23)39(63)52-29(17-33(46)58)40(64)53-30(18-34(47)59)41(65)54-31/h3-5,7-8,10-13,22,26-32,36,57H,6,9,14-21,45H2,1-2H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,67)(H,50,61)(H,51,62)(H,52,63)(H,53,64)(H,54,65)(H,55,66)

InChIKey

DAHCMEORVXDYEP-UHFFFAOYSA-N

Smiles

Oc1ccc(C[C@@H]2NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3[C@@H](CCC3)C(=O)N[C@@H](C(C)C)C(NCC(N)=O)=O)NC(=O)[C@@H](NC([C@@H](CC(N)=O)NC(=O)[C@@H](Cc3ccccc3)NC2=O)=O)CC(N)=O)cc1