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Substance Name: L 739594
RN: 156879-13-9
InChIKey: LQBLSQUSWJJCSP-UZIBIQIJSA-N

Molecular Formula

  • C31-H47-N3-O6

Molecular Weight

  • 557.7273
 
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Names and Synonyms

Name of Substance

  • L 739594

Synonyms

  • Hexahydrofuro(2,3-b)furan-3-yl (3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)carbamate (3S-(2(1R*(3S*,3aR*,6aS*),2S*),3alpha,4abeta,8abeta))-
  • L-739,594
  • L-739594

Systematic Name

  • Carbamic acid, (3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, hexahydrofuro(2,3-b)furan-3-yl ester, (3S-(2(1R*(3S*,3aR*,6aS*),2S*),3alpha,4abeta,8abeta))-

Registry Numbers

CAS Registry Number

  • 156879-13-9

System Generated Number

  • 0156879139

Structure Descriptors

InChI

1S/C31H47N3O6/c1-31(2,3)33-28(36)25-16-21-11-7-8-12-22(21)17-34(25)18-26(35)24(15-20-9-5-4-6-10-20)32-30(37)40-27-19-39-29-23(27)13-14-38-29/h4-6,9-10,21-27,29,35H,7-8,11-19H2,1-3H3,(H,32,37)(H,33,36)/t21-,22+,23-,24-,25-,26+,27-,29+/m0/s1

InChIKey

LQBLSQUSWJJCSP-UZIBIQIJSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O