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Substance Name: Oxytocin, thr(4)-N-meala(7)-
RN: 86969-97-3
InChIKey: FLANZQZTQPZUHZ-DAGPRLRJSA-N

Molecular Formula

  • C41-H65-N11-O12-S2.C2-H4-O2

Molecular Weight

  • 1028.2131
 
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Names and Synonyms

Name of Substance

  • Oxytocin, thr(4)-N-meala(7)-

Synonyms

  • (4-Threonine,7-N-methylalanine)oxytocin
  • 4-Thr-7-N-meala-oxytocin
  • Oxytocin, threonyl(4)-N-methylalanine(7)-

Systematic Name

  • Oxytocin, 4-L-threonine-7-(N-methyl-L-alanine)-, monoacetate (salt)

Registry Numbers

CAS Registry Number

  • 86969-97-3

System Generated Number

  • 0086969973

Molecular Formulas

Molecular Formula

  • C41-H65-N11-O12-S2.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C41-H65-N11-O12-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C41H65N11O12S2.C2H4O2/c1-8-20(4)32-39(62)51-33(22(6)53)40(63)48-28(15-30(43)55)37(60)49-29(41(64)52(7)21(5)34(57)46-26(13-19(2)3)36(59)45-16-31(44)56)18-66-65-17-25(42)35(58)47-27(38(61)50-32)14-23-9-11-24(54)12-10-23;1-2(3)4/h9-12,19-22,25-29,32-33,53-54H,8,13-18,42H2,1-7H3,(H2,43,55)(H2,44,56)(H,45,59)(H,46,57)(H,47,58)(H,48,63)(H,49,60)(H,50,61)(H,51,62);1H3,(H,3,4)/t20-,21-,22+,25-,26-,27-,28-,29-,32-,33-;/m0./s1

InChIKey

FLANZQZTQPZUHZ-DAGPRLRJSA-N

Smiles

CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](NC1=O)[C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N.CC(=O)O