6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
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6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
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CAS No:
126103-94-4
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Formula:
C33H56N4O4
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Chemical Name:
6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
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Synonyms:
Tba-Cha(psi)(CH(OH)CH2)Val-Ile-Amp;tert-butylacetyl-cyclohexylalanine-hydroxyethylene isostere-valyl-isoleucyl-aminomethylpyridine;U 81749;U-81749;U 81749;126103-94-4;6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide;U-81749;Tba-cha(psi)(CH(OH)CH2)val-ile-amp;SCHEMBL15532120;DTXSID50925411;tert-Butylacetyl-cyclohexylalanine-hydroxyethylene isostere-valyl-isoleucyl-aminomethylpyridine;6-Cyclohexyl-4-hydroxy-5-[(1-hydroxy-3,3-dimethylbutylidene)amino]-N-(1-hydroxy-3-methyl-1-{[(pyridin-2-yl)methyl]imino}pentan-2-yl)-2-(propan-2-yl)hexanimidic acid;Cyclohexanehexanamide, delta-((3,3-dimethyl-1-oxobutyl)amino)-gamma-hydroxy-alpha-(1-methylethyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (alphaS-(N(1R*,2R*),alphaR*,gammaR*,deltaR*))-
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CAS No:
6-cyclohexyl-5-(3,3-dimethylbutanoylamino)-4-hydroxy-N-[3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide Basic Attributes
572.8 g/mol
572.43015628 g/mol
Computed Properties
Molecular Weight:572.8
XLogP3:6.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:16
Exact Mass:572.43015628
Monoisotopic Mass:572.43015628
Topological Polar Surface Area:120
Heavy Atom Count:41
Complexity:806
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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