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Substance Name: Oxytocin, 1-desamino-(O-Et-tyr)(2)-
RN: 77648-79-4
InChIKey: JFRPDYRVGGIJJM-UHFFFAOYSA-N

Note

  • Inhibits vasopressin action on uterine activity.

Molecular Formula

  • C45-H69-N11-O12-S2

Molecular Weight

  • 1020.2371
 
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Names and Synonyms

Name of Substance

  • Oxytocin, 1-desamino-(O-Et-tyr)(2)-

Synonyms

  • 1-(3-Mercaptopropionic acid)-2-(O-Et-tyr)-oxytocin
  • 1-Deamino-2-tyr(ethyl)oxytocin
  • dE-Oxy
  • Oxytocin, 1-desamino-O-ethyltyrosine(2)-

Systematic Name

  • Oxytocin, 1-(3-mercaptopropanoic acid)-2-(O-ethyl-L-tyrosine)-

Registry Numbers

CAS Registry Number

  • 77648-79-4

System Generated Number

  • 0077648794

Structure Descriptors

InChI

1S/C45H69N11O12S2/c1-6-25(5)38-44(66)51-28(14-15-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(45(67)56-17-8-9-33(56)43(65)53-29(19-24(3)4)39(61)49-22-36(48)59)23-70-69-18-16-37(60)50-30(42(64)55-38)20-26-10-12-27(13-11-26)68-7-2/h10-13,24-25,28-33,38H,6-9,14-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)

InChIKey

JFRPDYRVGGIJJM-UHFFFAOYSA-N

Smiles

CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)Cc2ccc(cc2)OCC)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N