(3s,4As,8as)-decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-carbobenzyloxyamino-4-phenylthiobutyl]-3-isoquinolinecarboxamide

CAS

213135-55-8

Catalog Number

ACM213135558

Category

Other Products

Molecular Weight

583.78

Molecular Formula

C₃₂H₄₅N₃O₅S

MSDS COA Spec Sheet

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Specification

Synonyms

[(1R,2R)-2-Hydroxy-3-[(3S,4aS,8aS)-octahydro-3-[[(2-hydroxy-1,1-dimethylethyl)amino]carbonyl]-2(1H)-isoquinolinyl]-1-[(phenylthio)methyl]propyl]carbamic Acid Phenylmethyl Ester;

IUPAC Name

benzyl N-[(2R,3R)-4-[(3S,4aS,8aS)-3-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylsulfanylbutan-2-yl]carbamate

Canonical SMILES

CC(C)(CO)NC(=O)C1CC2CCCCC2CN1CC(C(CSC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O

InChI Key

LGNQXYJOAQQMEH-RIVMDFSBSA-N

Appearance

Off-White to Pale Yellow Solid

Exact Mass

583.30800

H-Bond Acceptor

H-Bond Donor