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Substance Name: Oxypressin
RN: 642-35-3
InChIKey: WTHKESHUHBGMGM-DZCXQCEKSA-N

Note

  • Equipotent analog of oxytocin & vasopressin.

Molecular Formula

  • C46-H64-N12-O12-S2

Molecular Weight

  • 1041.22
 
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Names and Synonyms

Name of Substance

  • Oxypressin

Synonyms

  • 3-Phe-oxytocin
  • Cys-tyr-phe-gln-asn-cys-pro-leu-glynh2
  • Cysteinyl-tyrosyl-phenylalanyl-glutaminyl-asparaginyl-cysteinyl-proly-leucyl-glycinamide
  • Oxytocin, phe(3)-
  • Oxytocin, phenylalanine(3)-

Systematic Name

  • Oxytocin, 3-L-phenylalanine-

Registry Numbers

CAS Registry Number

  • 642-35-3

System Generated Number

  • 0000642353

Structure Descriptors

InChI

1S/C46H64N12O12S2/c1-24(2)17-30(40(64)51-21-38(50)62)56-45(69)35-9-6-16-58(35)46(70)34-23-72-71-22-28(47)39(63)53-31(19-26-10-12-27(59)13-11-26)43(67)54-32(18-25-7-4-3-5-8-25)42(66)52-29(14-15-36(48)60)41(65)55-33(20-37(49)61)44(68)57-34/h3-5,7-8,10-13,24,28-35,59H,6,9,14-23,47H2,1-2H3,(H2,48,60)(H2,49,61)(H2,50,62)(H,51,64)(H,52,66)(H,53,63)(H,54,67)(H,55,65)(H,56,69)(H,57,68)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

InChIKey

WTHKESHUHBGMGM-DZCXQCEKSA-N

Smiles

c1(C[C@@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)NCC(=O)N)CC(C)C)CSSC[C@H](N)C(=O)N[C@H](C(=O)N2)Cc2ccc(cc2)O)CC(=O)N)ccccc1