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Substance Name: Oxytocin, phe(2)-orn(8)-
RN: 2480-41-3
InChIKey: BSYJBXQZRHPHRD-OVCMMVBBSA-N

Molecular Formula

  • C42-H65-N13-O11-S2

Molecular Weight

  • 992.1875
 
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Names and Synonyms

Name of Substance

  • Oxytocin, phe(2)-orn(8)-

Synonyms

  • 2-Phe-8-orn-oxytocin
  • Oxytocin, phenylalanyl(2)-ornithine(8)-
  • PI Ornipressin
  • POOT

Systematic Name

  • Oxytocin, 2-L-phenylalanine-8-L-ornithine-

Registry Numbers

CAS Registry Number

  • 2480-41-3

Other Registry Numbers

  • 11022-32-5
  • 30635-31-5
  • 99564-33-7

System Generated Number

  • 0002480413

Structure Descriptors

InChI

1S/C42H65N13O11S2/c1-3-22(2)34(54-39(63)27(51-35(59)24(44)20-67)17-23-9-5-4-6-10-23)41(65)50-26(13-14-31(45)56)37(61)52-28(18-32(46)57)38(62)53-29(21-68)42(66)55-16-8-12-30(55)40(64)49-25(11-7-15-43)36(60)48-19-33(47)58/h4-6,9-10,20,22,24-30,34,68H,3,7-8,11-19,21,43-44H2,1-2H3,(H2,45,56)(H2,46,57)(H2,47,58)(H,48,60)(H,49,64)(H,50,65)(H,51,59)(H,52,61)(H,53,62)(H,54,63)/t22-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1

InChIKey

BSYJBXQZRHPHRD-OVCMMVBBSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C=S)N