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Substance Name: Carbamic acid, ((1S,2R)-3-((3S,4aS,8aS)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl ester
RN: 142580-65-2
InChIKey: LYMBPRXTWAXSBF-VMAPGKTHSA-N

Molecular Formula

  • C29-H47-N3-O4

Molecular Weight

  • 501.7073
 
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Names and Synonyms

Synonym

  • 3(3(S)-(((1,1-Dimethylethoxy)carbonyl)amino)-4-phenyl-2(R)-hydroxybutyl)-N-(1,1-dimethylethyl)-3-decahydroisoquinolinecarboxamide

Systematic Name

  • Carbamic acid, ((1S,2R)-3-((3S,4aS,8aS)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl ester

Registry Numbers

CAS Registry Number

  • 142580-65-2

System Generated Number

  • 0142580652

Structure Descriptors

InChI

1S/C29H47N3O4/c1-28(2,3)31-26(34)24-17-21-14-10-11-15-22(21)18-32(24)19-25(33)23(16-20-12-8-7-9-13-20)30-27(35)36-29(4,5)6/h7-9,12-13,21-25,33H,10-11,14-19H2,1-6H3,(H,30,35)(H,31,34)/t21-,22+,23-,24-,25+/m0/s1

InChIKey

LYMBPRXTWAXSBF-VMAPGKTHSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O