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  • [3s-(3s,4As,8as,2'r,3'r)]-2-[3'-N-cbz-amino-2'-hydroxy-4'-(phenyl)thio]butyldecahydroisoquinoline-3-N-t-butylcarboxamide

[3s-(3s,4As,8as,2'r,3'r)]-2-[3'-N-cbz-amino-2'-hydroxy-4'-(phenyl)thio]butyldecahydroisoquinoline-3-N-t-butylcarboxamide

CAS
159878-04-3
Catalog Number
ACM159878043
Category
Other Products
Molecular Weight
567.78
Molecular Formula
C32H45N3O4S

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Specification

Synonyms
[(1R,2R)-3-[(3S,4aS,8aS)-3-[[(1,1-Dimethylethyl)amino]carbonyl]octahydro-2(1H)-isoquinolinyl]-2-hydroxy-1-[(phenylthio)methyl]propyl]carbamic Acid Phenylmethyl Ester;
IUPAC Name
benzyl N-[(2R,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate
Canonical SMILES
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CSC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O
InChI Key
CADGDESSNWSRRZ-RIVMDFSBSA-N
Boiling Point
767.753ºC at 760 mmHg
Flash Point
418.122ºC
Density
1.201g/cm³
Appearance
White Solid
Exact Mass
567.31300
H-Bond Acceptor
6
H-Bond Donor
3
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