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Substance Name: Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-
RN: 70056-25-6
InChIKey: ZXHAQJSRGRIXJY-VYKVSDTASA-N

Note

  • An oxytocin antagonist.

Molecular Weight

  • 1007.24
 
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Names and Synonyms

Name of Substance

  • Oxytocin, 1-deaminopenicillamyl-meo-tyr(2)-thr(4)-

Synonyms

  • 1-Desaminopenicillamyl-2-meo-tyr-4-thr-oxytocin
  • Oxapmtt
  • Oxytocin, 1-deaminopenicillamyl-O-methyltyrosyl(2)-threonyl(4)-

Systematic Name

  • 1-(3-Mercapto-3-methylbutanoic acid)-2-(O-methyl-L-tyrosine)-4-L-threonine oxytocin

Registry Numbers

CAS Registry Number

  • 70056-25-6

System Generated Number

  • 0070056256

Structure Descriptors

InChI

1S/C45H70N10O12S2/c1-9-24(4)36-42(64)54-37(25(5)56)43(65)51-30(19-33(46)57)39(61)52-31(44(66)55-16-10-11-32(55)41(63)50-28(17-23(2)3)38(60)48-21-34(47)58)22-68-69-45(6,7)20-35(59)49-29(40(62)53-36)18-26-12-14-27(67-8)15-13-26/h12-15,23-25,28-32,36-37,56H,9-11,16-22H2,1-8H3,(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,63)(H,51,65)(H,52,61)(H,53,62)(H,54,64)/t24-,25+,28-,29-,30-,31-,32?,36-,37?/m0/s1

InChIKey

ZXHAQJSRGRIXJY-VYKVSDTASA-N

Smiles

O[C@@H]([C@@H]1NC([C@@H](NC(=O)[C@H](Cc2ccc(cc2)OC)NC(CC(SSC[C@H](NC([C@@H](NC1=O)CC(N)=O)=O)C(=O)N1[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CCC1)(C)C)=O)[C@H](CC)C)=O)C