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Substance Name: Mesotocin
RN: 362-39-0
UNII: 3Y635KQT1J
InChIKey: SILDPWPVKZETMP-AMUMSSSMSA-N

Molecular Formula

  • C43-H66-N12-O12-S2

Molecular Weight

  • 1007.1984
 
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Names and Synonyms

Name of Substance

  • Mesotocin

Synonyms

  • 8-Ile-oxytocin
  • Oxytocin, ile(8)-
  • Oxytocin, isoleucine(8)-
  • UNII-3Y635KQT1J

Systematic Name

  • Oxytocin, 8-L-isoleucine-

Registry Numbers

CAS Registry Number

  • 362-39-0

FDA UNII

  • 3Y635KQT1J

System Generated Number

  • 0000362390

Structure Descriptors

InChI

1S/C43H66N12O12S2/c1-5-21(3)34(41(65)48-18-33(47)59)54-40(64)30-8-7-15-55(30)43(67)29-20-69-68-19-25(44)36(60)50-27(16-23-9-11-24(56)12-10-23)39(63)53-35(22(4)6-2)42(66)49-26(13-14-31(45)57)37(61)51-28(17-32(46)58)38(62)52-29/h9-12,21-22,25-30,34-35,56H,5-8,13-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,65)(H,49,66)(H,50,60)(H,51,61)(H,52,62)(H,53,63)(H,54,64)/t21-,22-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1

InChIKey

SILDPWPVKZETMP-AMUMSSSMSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CSSC[C@H](N)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N2)C(=O)NCC(=O)N