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Substance Name: Oxytocin, gly-lys-arg-
RN: 90685-16-8
InChIKey: NQGZGUSQTBJIHL-FZESHEKZSA-N

Molecular Formula

  • C57-H92-N18-O16-S2

Molecular Weight

  • 1349.5958
 
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Names and Synonyms

Name of Substance

  • Oxytocin, gly-lys-arg-

Synonyms

  • Gly-lys-arg-oxytocin
  • OT-Gkr
  • Oxytocin dodecapeptide
  • Oxytocin, glycyl-lysyl-arginine-
  • Precursor-oxytocin
  • Pro-oxytocin

Systematic Name

  • Oxytocin, 9a-glycine-9b-L-lysine-9c-L-arginine-

Registry Numbers

CAS Registry Number

  • 90685-16-8

System Generated Number

  • 0090685168

Structure Descriptors

InChI

1S/C57H92N18O16S2/c1-5-30(4)46-54(88)68-35(17-18-42(60)77)50(84)71-39(24-43(61)78)51(85)73-40(28-93-92-27-33(59)47(81)70-38(52(86)74-46)23-31-13-15-32(76)16-14-31)55(89)75-21-9-12-41(75)53(87)72-37(22-29(2)3)48(82)66-25-44(79)65-26-45(80)67-34(10-6-7-19-58)49(83)69-36(56(90)91)11-8-20-64-57(62)63/h13-16,29-30,33-41,46,76H,5-12,17-28,58-59H2,1-4H3,(H2,60,77)(H2,61,78)(H,65,79)(H,66,82)(H,67,80)(H,68,88)(H,69,83)(H,70,81)(H,71,84)(H,72,87)(H,73,85)(H,74,86)(H,90,91)(H4,62,63,64)/t30-,33-,34-,35-,36-,37-,38-,39-,40-,41-,46-/m0/s1

InChIKey

NQGZGUSQTBJIHL-FZESHEKZSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O