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Substance Name: Isotocin
RN: 550-21-0
InChIKey: XMINXPSYULINQV-WZONHCQSSA-N

Note

  • Hormone found in some teleosts; Gln in position 4 of oxytocin replaced by Ser & Leu in position 8 by Ile.

Molecular Formula

  • C41-H63-N11-O12-S2

Molecular Weight

  • 966.146
 
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Names and Synonyms

Name of Substance

  • Isotocin

Synonyms

  • 4-Ser-8-ile-oxytocin
  • 4-Serine-8-isoleucine-oxytocin
  • Oxytocin, ser(4)-ile(8)-
  • Oxytocin, seryl(4)-isoleucine(8)-

Systematic Name

  • Oxytocin, 4-L-serine-8-L-isoleucine-

Registry Numbers

CAS Registry Number

  • 550-21-0

System Generated Number

  • 0000550210

Structure Descriptors

InChI

1S/C41H63N11O12S2/c1-5-20(3)32(39(62)45-16-31(44)56)51-38(61)29-8-7-13-52(29)41(64)28-19-66-65-18-24(42)34(57)46-25(14-22-9-11-23(54)12-10-22)36(59)50-33(21(4)6-2)40(63)48-27(17-53)37(60)47-26(15-30(43)55)35(58)49-28/h9-12,20-21,24-29,32-33,53-54H,5-8,13-19,42H2,1-4H3,(H2,43,55)(H2,44,56)(H,45,62)(H,46,57)(H,47,60)(H,48,63)(H,49,58)(H,50,59)(H,51,61)/t20-,21-,24-,25-,26-,27-,28-,29-,32-,33?/m0/s1

InChIKey

XMINXPSYULINQV-WZONHCQSSA-N

Smiles

N1(C([C@H]2NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CSSC2)N)=O)Cc2ccc(cc2)O)=O)[C@H](CC)C)=O)CO)=O)CC(=O)N)=O)=O)[C@H](C(N[C@H](C(NCC(=O)N)=O)[C@H](CC)C)=O)CCC1