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Substance Name: Tocinoic acid
RN: 34330-23-9
InChIKey: ITRWUGOBSKHPTA-LYZHYIKWSA-N

Note

  • Oxytocin analog containing the oxytocin ring without the side chain.

Molecular Formula

  • C30-H44-N8-O10-S2

Molecular Weight

  • 740.8556
 
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Names and Synonyms

Name of Substance

  • Tocinoic acid

Synonyms

  • 7-De-pro-3-de-leu-3-de-glynh2-deoxytocin
  • Deoxytocin, des-pro(7)-des-leu(3)-des-glynh2(3)-
  • Deoxytocin, des-prolyl(7)-des-leucyl(3)-des-glycinamide(3)-

Systematic Name

  • Oxytocin, 7-de-L-proline-8-de-L-leucine-9-deglycinamide-

Registry Numbers

CAS Registry Number

  • 34330-23-9

System Generated Number

  • 0034330239

Structure Descriptors

InChI

1S/C30H44N8O10S2/c1-3-14(2)24-29(46)34-18(8-9-22(32)40)26(43)36-20(11-23(33)41)27(44)37-21(30(47)48)13-50-49-12-17(31)25(42)35-19(28(45)38-24)10-15-4-6-16(39)7-5-15/h4-7,14,17-21,24,39H,3,8-13,31H2,1-2H3,(H2,32,40)(H2,33,41)(H,34,46)(H,35,42)(H,36,43)(H,37,44)(H,38,45)(H,47,48)/t14-,17-,18-,19-,20-,21-,24?/m0/s1

InChIKey

ITRWUGOBSKHPTA-LYZHYIKWSA-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)N)C(=O)O)CC(=O)N)CCC(=O)N