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Substance Name: KT-8391
RN: 183488-70-2
UNII: VU9805I777
InChIKey: PBEVPBFDKPJIOM-HQKLUXGTSA-N

Note

  • A lysinyl-beta-alanyl ester of CEP-751.

Molecular Formula

  • C36-H40-N6-O6.2Cl-H

Molecular Weight

  • 725.6613
 
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Names and Synonyms

Name of Substance

  • KT-8391

Synonyms

  • beta-Alanine, N-L-lysyl-, (2,3,9,10,11,12-hexahydro-10-methoxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-10-yl)methyl ester, dihydrochloride, (9S-(9alpha,10beta,12alpha))-
  • CEP-2563
  • KT-8391
  • N-Lys-b-Ala-(9S-(9a,10b,12a))-(2,3,9,10,11,12-hexahydro-10-methoxy-9-methyl-1-oxo-9,12-epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-10-yl)methyl ester dihydrochloride
  • UNII-VU9805I777

Registry Numbers

CAS Registry Number

  • 183488-70-2

FDA UNII

  • VU9805I777

System Generated Number

  • 0183488702

Structure Descriptors

InChI

1S/C36H40N6O6.2ClH/c1-35-36(46-2,19-47-27(43)14-16-39-33(44)23(38)11-7-8-15-37)17-26(48-35)41-24-12-5-3-9-20(24)29-30-22(18-40-34(30)45)28-21-10-4-6-13-25(21)42(35)32(28)31(29)41;;/h3-6,9-10,12-13,23,26H,7-8,11,14-19,37-38H2,1-2H3,(H,39,44)(H,40,45);2*1H/t23-,26+,35-,36-;;/m0../s1

InChIKey

PBEVPBFDKPJIOM-HQKLUXGTSA-N

Smiles

Cl.Cl.CO[C@]1(COC(=O)CCNC(=O)[C@@H](N)CCCCN)C[C@H]2O[C@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35