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Substance Name: Oxytocin, hydroxy-thr(4)-
RN: 58418-35-2
InChIKey: YVZWREMEJPIEKC-BZGUUIOASA-N

Molecular Weight

  • 981.157
 
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Names and Synonyms

Name of Substance

  • Oxytocin, hydroxy-thr(4)-

Synonyms

  • Hydroxy-4-thr-oxytocin
  • Oxytocin, hydroxy-threonine(4)-

Systematic Name

  • 1-(L-2-Hydroxy-3-mercaptopropanoic acid)-4-L-threonineoxytocin

Registry Numbers

CAS Registry Number

  • 58418-35-2

System Generated Number

  • 0058418352

Structure Descriptors

InChI

1S/C42H64N10O13S2/c1-6-21(4)33(50-37(60)26(46-39(62)30(55)19-67)15-23-9-11-24(54)12-10-23)40(63)51-34(22(5)53)41(64)47-27(16-31(44)56)35(58)48-28(18-66)42(65)52-13-7-8-29(52)38(61)45-25(14-20(2)3)36(59)49-32(57)17-43/h7-12,20-22,25-30,33-34,53-55,66-67H,6,13-19,43H2,1-5H3,(H2,44,56)(H,45,61)(H,46,62)(H,47,64)(H,48,58)(H,50,60)(H,51,63)(H,49,57,59)/t21-,22+,25-,26-,27-,28-,29-,30-,33-,34-/m0/s1

InChIKey

YVZWREMEJPIEKC-BZGUUIOASA-N

Smiles

C(CN)(=O)NC([C@@H](NC([C@H]1N(CC=C1)C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CS)O)=O)Cc1ccc(O)cc1)=O)[C@H](CC)C)=O)[C@@H](C)O)=O)CC(=O)N)=O)CS)=O)=O)CC(C)C)=O