(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide
CAS Registry Number®
252186-41-7
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CAS Name
(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamideMolecular Formula
C24H39N3O3SMolecular Mass
449.65Cite this Page
(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=252186-41-7 (retrieved ) (CAS RN: 252186-41-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H39N3O3S/c1-24(2,16-28)26-23(30)21-12-17-8-6-7-9-18(17)13-27(21)14-22(29)20(25)15-31-19-10-4-3-5-11-19/h3-5,10-11,17-18,20-22,28-29H,6-9,12-16,25H2,1-2H3,(H,26,30)/t17-,18+,20-,21-,22+/m0/s1
InChIKey
InChIKey=RPJUAXSSRMFQEF-XRYRHKQGSA-N
SMILES
C([C@H]([C@H](CSC1=CC=CC=C1)N)O)N2[C@H](C(NC(CO)(C)C)=O)C[C@]3([C@@](C2)(CCCC3)[H])[H]
Canonical SMILES
O=C(NC(C)(C)CO)C1N(CC(O)C(N)CSC=2C=CC=CC2)CC3CCCCC3C1
Other Names for this Substance
- 3-Isoquinolinecarboxamide, 2-[(2R,3R)-3-amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-, (3S,4aS,8aS)-
- (3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]decahydro-N-(2-hydroxy-1,1-dimethylethyl)-3-isoquinolinecarboxamide
