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Substance Name: Oxytocin, (8-alpha-hydroxyisocaproic acid)-
RN: 75607-76-0
InChIKey: LTQDOSYZJIQEAM-UHFFFAOYSA-N

Molecular Weight

  • 1008.18
 
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Names and Synonyms

Name of Substance

  • Oxytocin, (8-alpha-hydroxyisocaproic acid)-

Synonyms

  • (8alpha-Hydroxyisocaproic acid)oxytocin
  • HICAO

Systematic Name

  • Oxytocin, 8-(2-hydroxy-4-methylpentanoic acid)-

Registry Numbers

CAS Registry Number

  • 75607-76-0

System Generated Number

  • 0075607760

Structure Descriptors

InChI

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

InChIKey

LTQDOSYZJIQEAM-UHFFFAOYSA-N

Smiles

Oc1ccc(C[C@@H]2NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N3[C@@H](CCC3)C(=O)O[C@@H](C(NCC(N)=O)=O)CC(C)C)NC(=O)[C@@H](NC([C@@H](CCC(N)=O)NC(=O)[C@@H](NC2=O)[C@@H](C)CC)=O)CC(N)=O)cc1