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CAS 136522-17-3

:

(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide

Description:
The chemical substance with the name "(3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide" and CAS number "136522-17-3" is a complex organic compound characterized by its multi-ring structure and specific stereochemistry. It features a decahydroisoquinoline backbone, which contributes to its potential biological activity. The presence of an amino group and a hydroxyl group indicates that it may engage in hydrogen bonding, influencing its solubility and reactivity. The phenyl group suggests potential interactions with aromatic systems, which can be significant in biological contexts. Additionally, the tert-butyl substituent may enhance lipophilicity, affecting the compound's pharmacokinetics. This compound is likely to be of interest in medicinal chemistry, particularly for its potential therapeutic applications, possibly in the realm of neuropharmacology or as a modulator of specific biological pathways. Its stereochemical configuration is crucial for its biological activity, as chirality can significantly impact the interaction with biological targets.
Formula:C24H39N3O2
InChI:InChI=1S/C24H39N3O2/c1-24(2,3)26-23(29)21-14-18-11-7-8-12-19(18)15-27(21)16-22(28)20(25)13-17-9-5-4-6-10-17/h4-6,9-10,18-22,28H,7-8,11-16,25H2,1-3H3,(H,26,29)/t18-,19+,20-,21-,22+/m0/s1
InChI key:InChIKey=YJRJYYPXNAHNMD-LILSUDLASA-N
SMILES:C([C@H]([C@H](CC1=CC=CC=C1)N)O)N2[C@H](C(NC(C)(C)C)=O)C[C@]3([C@@](C2)(CCCC3)[H])[H]
Synonyms:
  • (3S,4aS,8aS)-2-[(2R,3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-3-isoquinolinecarboxamide
  • 3-Isoquinolinecarboxamide, 2-(3-amino-2-hydroxy-4-phenylbutyl)-N-(1,1-dimethylethyl)decahydro-, [3S-[2(2S*,3R*),3α,4aβ,8aβ]]-
  • 3-Isoquinolinecarboxamide, 2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(1,1-dimethylethyl)decahydro-, (3S,4aS,8aS)-
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