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Home > Encyclopedia > tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate

tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate

tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate structure

tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate 

structure
  • CAS No:

    141979-04-6

  • Formula:

    C33H56N4O5

  • Chemical Name:

    tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate

  • Synonyms:

    Ro 31-8588;

tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate Basic Attributes

588.82200

588.42507090 g/mol

Characteristics

140.12000

7.04310

1.066g/cm3

792.4ºC

433ºC

1.513

1.81E-26mmHg at 25°C

Drug Information

Ro 31-8588

Computed Properties

Molecular Weight:588.8
XLogP3:6.4
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:17
Exact Mass:588.42507090
Monoisotopic Mass:588.42507090
Topological Polar Surface Area:130
Heavy Atom Count:42
Complexity:824
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of tert-butyl N-[(2S,3S,5R)-1-cyclohexyl-3-hydroxy-6-methyl-5-[[3-methyl-1-oxo-1-(2-pyridin-2-ylethylamino)pentan-2-yl]carbamoyl]heptan-2-yl]carbamate

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