(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
CAS Registry Number®
159878-05-4
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CAS Name
(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamideMolecular Formula
C24H39N3O2SMolecular Mass
433.65Cite this Page
(3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=159878-05-4 (retrieved ) (CAS RN: 159878-05-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
136-138 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C24H39N3O2S/c1-24(2,3)26-23(29)21-13-17-9-7-8-10-18(17)14-27(21)15-22(28)20(25)16-30-19-11-5-4-6-12-19/h4-6,11-12,17-18,20-22,28H,7-10,13-16,25H2,1-3H3,(H,26,29)/t17-,18+,20-,21-,22+/m0/s1
InChIKey
InChIKey=FWGHKOLIXLOLBU-XRYRHKQGSA-N
SMILES
C([C@H]([C@H](CSC1=CC=CC=C1)N)O)N2[C@H](C(NC(C)(C)C)=O)C[C@]3([C@@](C2)(CCCC3)[H])[H]
Canonical SMILES
O=C(NC(C)(C)C)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]-N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-
- 3-Isoquinolinecarboxamide, 2-[3-amino-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-, [3S-[2(2S*,3S*),3α,4aβ,8aβ]]-
- (3S,4aS,8aS)-2-[(2R,3R)-3-Amino-2-hydroxy-4-(phenylthio)butyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
- (3S,4aS,8aS)-2-((2R,3R)-3-Amino-2-hydroxy-4-phenylthiobutyl)decahydroisoquinoline-3-carboxylic acid tert-butylamide