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Substance Name: Oxytocin, (4-ethyl-phe)(2)-
RN: 24870-58-4
InChIKey: USPHIKQODZFOHJ-UHFFFAOYSA-N

Molecular Formula

  • C45-H70-N12-O11-S2

Molecular Weight

  • 1019.253
 
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Names and Synonyms

Name of Substance

  • Oxytocin, (4-ethyl-phe)(2)-

Synonyms

  • 2-(4-Ethyl-phe)-oxytocin
  • Oxytocin, (4-ethylphenylalanine)(2)-

Systematic Name

  • Oxytocin, 2-(4-ethylphenylalanine)-

Registry Numbers

CAS Registry Number

  • 24870-58-4

System Generated Number

  • 0024870584

Structure Descriptors

InChI

1S/C45H70N12O11S2/c1-6-24(5)37-44(67)51-28(14-15-34(47)58)40(63)53-31(19-35(48)59)41(64)55-32(45(68)57-16-8-9-33(57)43(66)54-29(17-23(3)4)39(62)50-20-36(49)60)22-70-69-21-27(46)38(61)52-30(42(65)56-37)18-26-12-10-25(7-2)11-13-26/h10-13,23-24,27-33,37H,6-9,14-22,46H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,67)(H,52,61)(H,53,63)(H,54,66)(H,55,64)(H,56,65)

InChIKey

USPHIKQODZFOHJ-UHFFFAOYSA-N

Smiles

CCc1ccc(cc1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N2)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)C(C)CC