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Substance Name: Oxytocin,1-(beta-mercapto-(beta, beta-cyclopentamethylene)propionic acid)-tyr(ome)(2)-orn(8)-
RN: 77327-45-8
InChIKey: ZWVZXPFUQHTUKV-DCFRFDPNSA-N

Molecular Formula

  • C48-H74-N12-O12-S2

Molecular Weight

  • 1075.32
 
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Names and Synonyms

Name of Substance

  • Oxytocin,1-(beta-mercapto-(beta, beta-cyclopentamethylene)propionic acid)-tyr(ome)(2)-orn(8)-

Synonyms

  • (d(CH2)5,Tyr(Me)2,Orn8)vasotocin
  • 1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-tyr(ome)-8-orn-oxytocin
  • 1-Deamino-2-O-methyl-tyrosyl-8-ornithine-1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)oxytocin
  • d(CH2)5Tyr(Me)-8-Orn-vasotocin
  • Det2Tyr(Me)-ovt
  • Mpomeovt
  • Oxytocin, 1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)-1-deamino-2-O-methyl-tyrosyl-8-ornithine-
  • Oxytocin, 1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)-O-methyltyrosyl(2)-ornithine(8)-
  • Oxytocin, 1beta-mpa(beta-(CH2)5)(1)-Me(tyr)(2)-orn(8)-
  • Vasotocin, 1-(beta-mercapto-(beta, beta-cyclopentamethylene)propionic acid)-tyr(OM3)(2)-orn(8)-
  • Vasotocin, d(CH2)5-2-O-methytyrosine-8-ornithine-

Systematic Name

  • Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-2-(O-methyl-L-tyrosine)-8-L-ornithine-

Registry Numbers

CAS Registry Number

  • 77327-45-8

System Generated Number

  • 0077327458

Structure Descriptors

InChI

1S/C48H74N12O12S2/c1-4-27(2)40-46(70)56-31(16-17-36(50)61)42(66)57-33(23-37(51)62)43(67)58-34(47(71)60-21-9-11-35(60)45(69)55-30(10-8-20-49)41(65)53-25-38(52)63)26-73-74-48(18-6-5-7-19-48)24-39(64)54-32(44(68)59-40)22-28-12-14-29(72-3)15-13-28/h12-15,27,30-35,40H,4-11,16-26,49H2,1-3H3,(H2,50,61)(H2,51,62)(H2,52,63)(H,53,65)(H,54,64)(H,55,69)(H,56,70)(H,57,66)(H,58,67)(H,59,68)/t27-,30-,31-,32-,33-,34-,35-,40?/m0/s1

InChIKey

ZWVZXPFUQHTUKV-DCFRFDPNSA-N

Smiles

N1(C([C@H]2NC([C@@H](NC([C@@H](NC([C@@H]([C@H](CC)C)NC([C@@H](NC(CC3(SSC2)CCCCC3)=O)Cc2ccc(OC)cc2)=O)=O)CCC(=O)N)=O)CC(=O)N)=O)=O)[C@H](C(N[C@H](C(NCC(=O)N)=O)CCCN)=O)CCC1