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Substance Name: Oxytocin, deamino-6-carba-
RN: 30927-32-3
InChIKey: MRNKEVGKBFIFET-AHCPCVRLSA-N

Note

  • Effects passive avoidance behavior.

Molecular Formula

  • C44-H67-N11-O12-S

Molecular Weight

  • 974.1443
 
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Names and Synonyms

Name of Substance

  • Oxytocin, deamino-6-carba-

Synonyms

  • beta-Deaminocystathionine-oxytocin
  • Deamino-6-carbaoxytocin

Systematic Name

  • 6-Carbaoxytocin, 1-(3-mercaptopropanoic acid)-

Registry Numbers

CAS Registry Number

  • 30927-32-3

System Generated Number

  • 0030927323

Structure Descriptors

InChI

1S/C44H67N11O12S/c1-5-24(4)37-43(66)50-27(12-13-33(45)57)39(62)52-31(21-34(46)58)40(63)51-28(14-17-68-18-15-36(60)49-30(41(64)54-37)20-25-8-10-26(56)11-9-25)44(67)55-16-6-7-32(55)42(65)53-29(19-23(2)3)38(61)48-22-35(47)59/h8-11,23-24,27-32,37,56H,5-7,12-22H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,60)(H,50,66)(H,51,63)(H,52,62)(H,53,65)(H,54,64)/t24-,27-,28-,29-,30-,31-,32-,37?/m0/s1

InChIKey

MRNKEVGKBFIFET-AHCPCVRLSA-N

Smiles

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCSCCC(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N