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Substance Name: Oxytocin, asp(5)-
RN: 65907-78-0
InChIKey: BKQNCZBCEMVEEP-OMTOYRQASA-N

Molecular Weight

  • 1008.18
 
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Names and Synonyms

Name of Substance

  • Oxytocin, asp(5)-

Synonyms

  • 5-Asp-oxytocin
  • OXA
  • Oxytocin, aspartic acid(5)-

Systematic Name

  • Oxytocin, 5-L-aspartic acid-

Registry Numbers

CAS Registry Number

  • 65907-78-0

System Generated Number

  • 0065907780

Structure Descriptors

InChI

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

InChIKey

BKQNCZBCEMVEEP-OMTOYRQASA-N

Smiles

OC(C[C@H]1C(N[C@H](C(=O)N2[C@@H](CCC2)C(=O)N[C@H](C(NCC(N)=O)=O)CC(C)C)CSSC[C@H](N)C(=O)N[C@H](C(N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N1)=O)Cc1ccc(O)cc1)=O)=O