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Substance Name: Oxytocin, 1-desaminopenicillamyl-leu(2)-
RN: 92444-08-1
InChIKey: XMOONRQYUXCDEX-UHFFFAOYSA-N

Molecular Weight

  • 970.221
 
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Names and Synonyms

Name of Substance

  • Oxytocin, 1-desaminopenicillamyl-leu(2)-

Synonyms

  • 1-Deaminopenicillamyl-2-leu-oxytocin
  • dPLOT
  • Oxytocin, 1-desaminopenicillamyl-leucine(2)-

Systematic Name

  • Oxytocin, 1-(3-mercapto-3-methylbutanoic acid)-2-L-leucine-, (SP-4-2)-

Registry Numbers

CAS Registry Number

  • 92444-08-1

System Generated Number

  • 0092444081

Structure Descriptors

InChI

1S/C42H71N11O11S2/c1-9-21(4)32(38(61)46-19-30(45)56)51-37(60)27-13-12-16-53(27)41(64)26-20-65-66-42(7,8)18-31(57)50-33(22(5)10-2)40(63)52-34(23(6)11-3)39(62)47-24(14-15-28(43)54)35(58)48-25(17-29(44)55)36(59)49-26/h21-27,32-34H,9-20H2,1-8H3,(H2,43,54)(H2,44,55)(H2,45,56)(H,46,61)(H,47,62)(H,48,58)(H,49,59)(H,50,57)(H,51,60)(H,52,63)

InChIKey

XMOONRQYUXCDEX-UHFFFAOYSA-N

Smiles

C(C(N)=O)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(SSC[C@@H](NC([C@@H](CC(=O)N)NC1=O)=O)C(=O)N1CCC[C@@H]1C(N[C@@H](C(NCC(N)=O)=O)[C@@H](C)CC)=O)(C)C)[C@@H](CC)C)[C@@H](C)CC