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Substance Name: Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-
RN: 35924-96-0
InChIKey: YPORZIRFDNUCBA-OMTOYRQASA-N

Molecular Formula

  • C43-H65-N11-O13-S2

Molecular Weight

  • 1008.18
 
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Names and Synonyms

Name of Substance

  • Oxytocin, 1-(2-hydroxy-3-mercaptopropionic acid)-

Synonyms

  • 1-(2-Hydroxy-3-mercaptopropionic acid)oxytocin
  • Oxhmpa

Systematic Name

  • Oxytocin, 1-(L-2-hydroxy-3-mercaptopropanoic acid)-

Registry Numbers

CAS Registry Number

  • 35924-96-0

System Generated Number

  • 0035924960

Structure Descriptors

InChI

1S/C43H65N11O13S2/c1-5-22(4)35-42(66)48-25(12-13-32(44)57)37(61)49-28(17-33(45)58)38(62)52-29(19-68-69-20-31(56)41(65)51-27(39(63)53-35)16-23-8-10-24(55)11-9-23)43(67)54-14-6-7-30(54)40(64)50-26(15-21(2)3)36(60)47-18-34(46)59/h8-11,21-22,25-31,35,55-56H,5-7,12-20H2,1-4H3,(H2,44,57)(H2,45,58)(H2,46,59)(H,47,60)(H,48,66)(H,49,61)(H,50,64)(H,51,65)(H,52,62)(H,53,63)/t22-,25-,26-,27-,28-,29-,30-,31-,35?/m0/s1

InChIKey

YPORZIRFDNUCBA-OMTOYRQASA-N

Smiles

O[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC([C@H](CCC(N)=O)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](NC1=O)Cc1ccc(O)cc1)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(NCC(N)=O)=O)CC(C)C