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Substance Name: Ota-vasotocin
RN: 114056-26-7
InChIKey: XHDMXBLPNDFGOB-YKVWRKJBSA-N

Note

  • A ligand used in quantitative receptor autoradiography for oxytocin receptors.

Molecular Formula

  • C54-H79-N11-O13-S2

Molecular Weight

  • 1154.4141
 
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Names and Synonyms

Results Name

  • Ota-vasotocin

Name of Substance

  • Vasotocin, (beta-mercapto-beta,beta-cyclopentamethylenepropionic acid)-O-methyl-tyr(2)-thr(4)-orn(8)-tyr(9)-NH2

Synonyms

  • 1-d(CH2)5-2-(O-Methyl)-tyrosyl-4-theonyl-8-ornithyl-9-tyrosinamide-vasotocin
  • d(CH2)5-O-Methyl-tyrosyl(2)-threonyl(4)-ornithyl(8)-tyrosinamide(9)-vasotocin
  • d(CH2)5-Tyr(Me)(2)-thr(4)-orn(8)-tyr(9)-NH2-vasotocin
  • N-((1-Mercaptocyclohexyl)acetyl)-O-methyl-L-tyrosyl-L-isoleucyl-L-threonyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithyl-L-tyrosinamide cyclic (1-5)-disulfide
  • Ota-vasotocin
  • OVTA

Systematic Name

  • L-Tyrosinamide, N-((1-mercaptocyclohexyl)acetyl)-O-methyl-L-tyrosyl-L-isoleucyl-L-threonyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-ornithyl-, cyclic (1-5)-disulfide

Registry Numbers

CAS Registry Number

  • 114056-26-7

System Generated Number

  • 0114056267

Structure Descriptors

InChI

1S/C54H79N11O13S2/c1-5-30(2)44(63-49(73)38(26-32-13-17-34(67)18-14-32)58-43(69)28-54(80)21-7-6-8-22-54)51(75)64-45(31(3)66)52(76)61-39(27-42(56)68)48(72)62-40(29-79)53(77)65-24-10-12-41(65)50(74)59-36(11-9-23-55)47(71)60-37(46(57)70)25-33-15-19-35(78-4)20-16-33/h13-20,29-31,36-41,44-45,66-67,80H,5-12,21-28,55H2,1-4H3,(H2,56,68)(H2,57,70)(H,58,69)(H,59,74)(H,60,71)(H,61,76)(H,62,72)(H,63,73)(H,64,75)/t30-,31+,36-,37-,38-,39-,40-,41-,44-,45-/m0/s1

InChIKey

XHDMXBLPNDFGOB-YKVWRKJBSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C=S)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)N[C@@H](Cc2ccc(cc2)OC)C(=O)N)NC(=O)[C@H](Cc3ccc(cc3)O)NC(=O)CC4(CCCCC4)S