Found 1 result

Search term: CCNc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-(ethylamino)-5-[(methylsulfonyl)(phenyl)amino]benzamide | C35H47N5O5S

N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-(ethylamino)-5-[(methylsulfonyl)(phenyl)amino]benzamide

  • Molecular FormulaC35H47N5O5S
  • Average mass649.843 Da
  • Monoisotopic mass649.329773 Da
  • ChemSpider ID8115040

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzamide, N-[(1S,2R)-3-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-(ethylamino)-5-[(methylsulfonyl)phenylamino]- [ACD/Index Name]
N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)-1--methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide
N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-(ethylamino)-5-[(methylsulfonyl)(phenyl)amino]benzamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-(ethylamino)-5-[(methylsulfonyl)(phenyl)amino]benzamide [ACD/IUPAC Name]
N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phényl-2-butanyl]-3-(éthylamino)-5-[(méthylsulfonyl)(phényl)amino]benzamide [French] [ACD/IUPAC Name]
AA9

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.626
Molar Refractivity: 181.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 158.66
ACD/KOC (pH 5.5): 784.24
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 903.37
ACD/KOC (pH 7.4): 4465.21
Polar Surface Area: 148 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 513.4±5.0 cm3

Click to predict properties on the Chemicalize site


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