(2S,4R)-N-(1,1-Dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-2-piperidinecarboxamide
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![(2S,4R)-N-(1,1-Dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-2-piperidinecarboxamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/cc0a9525b08c45bdbe2b8ba80f600d5e.png "(2S,4R)-N-(1,1-Dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-2-piperidinecarboxamide")
(2S,4R)-N-(1,1-Dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-2-piperidinecarboxamide
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CAS No:
154612-58-5
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Formula:
C35H46N4O4S
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Chemical Name:
(2S,4R)-N-(1,1-Dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-2-piperidinecarboxamide
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Synonyms:
2-Piperidinecarboxamide,N-(1,1-dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-,(2S,4R)-;2-Piperidinecarboxamide,N-(1,1-dimethylethyl)-1-[3-[[(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-,[2S-[1(2S*,3R*),2α,4α]]-;2-Piperidinecarboxamide,N-(1,1-dimethylethyl)-1-[(2R,3S)-3-[[(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-,(2S,4R)-;(2S,4R)-N-(1,1-Dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-2-piperidinecarboxamide;BILA 2185BS
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CAS No:
(2S,4R)-N-(1,1-Dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-2-piperidinecarboxamide Basic Attributes
618.8 g/mol
618.83
Computed Properties
Molecular Weight:618.8
XLogP3:5.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:618.32397713
Monoisotopic Mass:618.32397713
Topological Polar Surface Area:129
Heavy Atom Count:44
Complexity:878
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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