2-[(2-benzyl-3-phenylpropanoyl)amino]-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-propan-2-ylsulfonylhexan-2-yl]pentanamide
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2-[(2-benzyl-3-phenylpropanoyl)amino]-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-propan-2-ylsulfonylhexan-2-yl]pentanamide
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CAS No:
117760-71-1
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Formula:
C37H56N2O5S
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Chemical Name:
2-[(2-benzyl-3-phenylpropanoyl)amino]-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-propan-2-ylsulfonylhexan-2-yl]pentanamide
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Synonyms:
1-cyclohexyl-2-((dibenzylacetyl-L-norvalinyl)amino)-3-hydroxy-6-isopropylsulfonyl-5-methylhexane;Benzenepropanamide, N-(1-(((1-(cyclohexylmethyl)-2-hydroxy-4-methyl-5-((1-methylethyl)sulfonyl)pentyl)amino)carbonyl)butyl)-alpha-(phenylmethyl)-, (1S-(1R*(R*),2R*,4S*))-;H 218-54;H-218-54;H21854;117760-71-1;H21854;H 218-54;H-218-54;DTXSID40922535;1-Cyclohexyl-2-((dibenzylacetyl-L-norvalinyl)amino)-3-hydroxy-6-isopropylsulfonyl-5-methylhexane;2-[(2-Benzyl-1-hydroxy-3-phenylpropylidene)amino]-N-[1-cyclohexyl-3-hydroxy-5-methyl-6-(propane-2-sulfonyl)hexan-2-yl]pentanimidic acid;Benzenepropanamide, N-(1-(((1-(cyclohexylmethyl)-2-hydroxy-4-methyl-5-((1-methylethyl)sulfonyl)pentyl)amino)carbonyl)butyl)-alpha-(phenylmethyl)-, (1S-(1R*(R*),2R*,4S*))-
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CAS No:
2-[(2-benzyl-3-phenylpropanoyl)amino]-N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-5-methyl-6-propan-2-ylsulfonylhexan-2-yl]pentanamide Basic Attributes
640.9 g/mol
640.39099406 g/mol
Drug Information
1-cyclohexyl-2-((dibenzylacetyl-L-norvalinyl)amino)-3-hydroxy-6-isopropylsulfonyl-5-methylhexane
Computed Properties
Molecular Weight:640.9
XLogP3:7.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:18
Exact Mass:640.39099406
Monoisotopic Mass:640.39099406
Topological Polar Surface Area:121
Heavy Atom Count:45
Complexity:942
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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