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Substance Name: Oxytocin, 1-desaminopenicillamyl-meo-tyr(2)-
RN: 70056-24-5
InChIKey: BSYMJBOYGSOMOO-UHFFFAOYSA-N

Note

  • An oxytocin antagonist.

Molecular Weight

  • 1034.26
 
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Names and Synonyms

Name of Substance

  • Oxytocin, 1-desaminopenicillamyl-meo-tyr(2)-

Synonyms

  • 1-Deaminopenicillamyl-2-meo-tyr-oxytocin
  • Oxapmt
  • Oxytocin, 1-desaminopenicillamyl-O-methyltyrosine(2)-

Systematic Name

  • 1-(3-Mercapto-3-methylbutanoic acid)-2-(O-methyl-L-tyrosine)oxytocin

Registry Numbers

CAS Registry Number

  • 70056-24-5

System Generated Number

  • 0070056245

Structure Descriptors

InChI

1S/C46H71N11O12S2/c1-8-25(4)38-44(67)52-28(15-16-34(47)58)40(63)53-31(20-35(48)59)41(64)55-32(45(68)57-17-9-10-33(57)43(66)54-29(18-24(2)3)39(62)50-22-36(49)60)23-70-71-46(5,6)21-37(61)51-30(42(65)56-38)19-26-11-13-27(69-7)14-12-26/h11-14,24-25,28-33,38H,8-10,15-23H2,1-7H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)

InChIKey

BSYMJBOYGSOMOO-UHFFFAOYSA-N

Smiles

N1([C@@H](CCC1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C([C@@H]1NC([C@@H](NC([C@@H](CCC(N)=O)NC([C@@H](NC(=O)[C@@H](Cc2ccc(cc2)OC)NC(CC(SSC1)(C)C)=O)[C@@H](CC)C)=O)=O)CC(=O)N)=O)=O