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Substance Name: Oxytocin, tri-gly-
RN: 16639-11-5
InChIKey: GSQPHYUVUWFHDE-XIJIAEDBSA-N

Molecular Formula

  • C49-H75-N15-O15-S2

Molecular Weight

  • 1178.3535
 
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Names and Synonyms

Name of Substance

  • Oxytocin, tri-gly-

Synonyms

  • Oxytocin, triglycine-
  • TGOT
  • Tri-gly-oxytocin

Systematic Name

  • Oxytocin, N-(N-(N-glycylglycyl)glycyl)-

Registry Numbers

CAS Registry Number

  • 16639-11-5

System Generated Number

  • 0016639115

Structure Descriptors

InChI

1S/C49H75N15O15S2/c1-5-25(4)41-48(78)58-28(12-13-35(51)66)43(73)60-31(17-36(52)67)44(74)62-33(49(79)64-14-6-7-34(64)47(77)61-29(15-24(2)3)42(72)56-19-37(53)68)23-81-80-22-32(57-40(71)21-55-39(70)20-54-38(69)18-50)46(76)59-30(45(75)63-41)16-26-8-10-27(65)11-9-26/h8-11,24-25,28-34,41,65H,5-7,12-23,50H2,1-4H3,(H2,51,66)(H2,52,67)(H2,53,68)(H,54,69)(H,55,70)(H,56,72)(H,57,71)(H,58,78)(H,59,76)(H,60,73)(H,61,77)(H,62,74)(H,63,75)/t25-,28-,29-,30-,31-,32-,33-,34-,41?/m0/s1

InChIKey

GSQPHYUVUWFHDE-XIJIAEDBSA-N

Smiles

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O)NC(=O)CNC(=O)CNC(=O)CN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N