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Substance Name: Deaminotocinamide, ser(4)-
RN: 53348-55-3
InChIKey: NUBUSLAGZCIWQO-BVRLQDJESA-N

Note

  • Ring moiety of oxytocin deaminated in 1 position, having cysteinamide in 6 position & replacing glutamine in 4 position by serine.

Molecular Weight

  • 683.804
 
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Names and Synonyms

Name of Substance

  • Deaminotocinamide, ser(4)-

Synonyms

  • 4-Ser-deaminotocinamide
  • Deaminotocinamide, serine(4)-

Systematic Name

  • N-(3-Mercapto-1-oxopropyl)-L-tyrosyl-L-isoleucyl- L-seryl-L-asparaginyl-L-cysteinamide, cyclic (1-5)- disulfide

Registry Numbers

CAS Registry Number

  • 53348-55-3

System Generated Number

  • 0053348553

Structure Descriptors

InChI

1S/C28H41N7O9S2/c1-3-14(2)23(35-26(42)17(31-22(39)8-9-45)10-15-4-6-16(37)7-5-15)28(44)33-19(12-36)27(43)32-18(11-21(29)38)25(41)34-20(13-46)24(30)40/h4-7,12,14,17-20,23,37,45-46H,3,8-11,13H2,1-2H3,(H2,29,38)(H2,30,40)(H,31,39)(H,32,43)(H,33,44)(H,34,41)(H,35,42)/t14-,17-,18-,19-,20-,23-/m0/s1

InChIKey

NUBUSLAGZCIWQO-BVRLQDJESA-N

Smiles

C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC(CCS)=O)Cc1ccc(O)cc1)=O)[C@H](CC)C)=O)C=O)=O)CC(=O)N)=O)CS)(=O)N