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Substance Name: Oxytocin, malamidic acid(5-beta)-
RN: 83281-46-3
InChIKey: WMKKPLUNPLSYJR-UHFFFAOYSA-N

Molecular Weight

  • 1008.18
 
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Names and Synonyms

Name of Substance

  • Oxytocin, malamidic acid(5-beta)-

Synonyms

  • 5-beta-Malamidic acid-oxytocin
  • 5-Bma-oxytocin

Systematic Name

  • Oxytocin, 5-(4-amino-4-oxo-L-2-hydroxybutanoic acid)-

Registry Numbers

CAS Registry Number

  • 83281-46-3

System Generated Number

  • 0083281463

Structure Descriptors

InChI

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

InChIKey

WMKKPLUNPLSYJR-UHFFFAOYSA-N

Smiles

O1[C@@H](C(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)C1=O)=O)Cc1ccc(O)cc1)=O)CC(N)=O