CAS 213135-55-8 (3S,4aS,8aS)-Decahydro-N-(2-hydroxy-1,1-dimethylethyl)-2-[(2R,3R)-2-hydroxy-3-carbobenzyloxyamino-4-phenylthiobutyl]-3-isoquinolinecarboxamide

CAT	APS213135558
CAS	213135-55-8
Structure
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
Molecular Weight	583.78
Molecular Formula	C32H45N3O5S
Canonical SMILES	CC(C)(CO)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](CSc3ccccc3)NC(=O)OCc4ccccc4
InChI	InChI=1S/C32H45N3O5S/c1-32(2,22-36)34-30(38)28-17-24-13-9-10-14-25(24)18-35(28)19-29(37)27(21-41-26-15-7-4-8-16-26)33-31(39)40-20-23-11-5-3-6-12-23/h3-8,11-12,15-16,24-25,27-29,36-37H,9-10,13-14,17-22H2,1-2H3,(H,33,39)(H,34,38)/t24-,25+,27-,28-,29+/m0/s1

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