ChemSpider 2D Image | MK-0668 | C31H30Cl2N6O6S

MK-0668

  • Molecular FormulaC31H30Cl2N6O6S
  • Average mass685.578 Da
  • Monoisotopic mass684.132446 Da
  • ChemSpider ID9608787
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4R)-1-[(3-Cyanophenyl)sulfonyl]-4-(cyclobutylamino)-L-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phenylalanine [ACD/IUPAC Name]
(4R)-1-[(3-Cyanophényl)sulfonyl]-4-(cyclobutylamino)-L-prolyl-4-[(3,5-dichloroisonicotinoyl)amino]-L-phénylalanine [French] [ACD/IUPAC Name]
(4R)-1-[(3-Cyanphenyl)sulfonyl]-4-(cyclobutylamino)-L-prolyl-4-[(3,5-dichlorisonicotinoyl)amino]-L-phenylalanin [German] [ACD/IUPAC Name]
L-Phenylalanine, (4R)-1-[(3-cyanophenyl)sulfonyl]-4-(cyclobutylamino)-L-prolyl-4-[[(3,5-dichloro-4-pyridinyl)carbonyl]amino]- [ACD/Index Name]
MK-0668
(2S)-2-[[(2S,4R)-1-(3-cyanophenyl)sulfonyl-4-(cyclobutylamino)pyrrolidine-2-carbonyl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoic acid
(4R)-1-[(3-CYANOPHENYL)SULFONYL]-4-(CYCLOBUTYLAMINO)-L-PROLYL-4-[[(3,5-DICHLORO-4-PYRIDINYL)CARBONYL]AMINO]-L-PHENYLALANINE
1193752-11-2 [RN]
865110-07-2 [RN]
L-Phenylalanine, (4R)-1-((3-cyanophenyl)sulfonyl)-4-(cyclobutylamino)-L-prolyl-4-(((3,5-dichloro-4-pyridinyl)carbonyl)amino)-
More...

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 169.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.59
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.50
Polar Surface Area: 190 Å2
Polarizability: 67.3±0.5 10-24cm3
Surface Tension: 84.2±5.0 dyne/cm
Molar Volume: 443.6±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement