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Substance Name: Oxytocin, gly(4)-
RN: 1976-82-5
InChIKey: NXVSFMWNAKGRDD-LQGOSMBMSA-N

Note

  • Oxytocin agonist.

Molecular Formula

  • C40-H61-N11-O11-S2

Molecular Weight

  • 936.1199
 
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Names and Synonyms

Name of Substance

  • Oxytocin, gly(4)-

Synonyms

  • 4-Gly-oxytocin
  • Oxytocin, glycine(4)-

Systematic Name

  • Oxytocin, 4-glycine-

Registry Numbers

CAS Registry Number

  • 1976-82-5

System Generated Number

  • 0001976825

Structure Descriptors

InChI

1S/C40H61N11O11S2/c1-5-21(4)33-39(61)45-17-32(55)46-27(15-30(42)53)36(58)49-28(19-64-63-18-24(41)34(56)47-26(37(59)50-33)14-22-8-10-23(52)11-9-22)40(62)51-12-6-7-29(51)38(60)48-25(13-20(2)3)35(57)44-16-31(43)54/h8-11,20-21,24-29,33,52H,5-7,12-19,41H2,1-4H3,(H2,42,53)(H2,43,54)(H,44,57)(H,45,61)(H,46,55)(H,47,56)(H,48,60)(H,49,58)(H,50,59)/t21-,24-,25-,26-,27-,28-,29-,33-/m0/s1

InChIKey

NXVSFMWNAKGRDD-LQGOSMBMSA-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)CNC1=O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N