ChemSpider 2D Image | N-{(2S)-4-[(Cyclobutylmethyl)({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-N~2~-{methyl[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl}-D-valinamide | C34H46N6O6S2

N-{(2S)-4-[(Cyclobutylmethyl)({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-N2-{methyl[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl}-D-valinamide

  • Molecular FormulaC34H46N6O6S2
  • Average mass698.896 Da
  • Monoisotopic mass698.292053 Da
  • ChemSpider ID9414477

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Butanamide, N-[(1S)-3-[(cyclobutylmethyl)[[4-[(E)-(hydroxyimino)methyl]phenyl]sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-3-methyl-2-[[[methyl[(2-methyl-4-thiazolyl)methyl]amino]carbonyl]amino]- , (2R)- [ACD/Index Name]
N-{(2S)-4-[(Cyclobutylmethyl)({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-N2-{methyl[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl}-D-valinamid [German] [ACD/IUPAC Name]
N-{(2S)-4-[(Cyclobutylmethyl)({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenyl-2-butanyl}-N2-{methyl[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl}-D-valinamide [ACD/IUPAC Name]
N-{(2S)-4-[(Cyclobutylméthyl)({4-[(E)-(hydroxyimino)méthyl]phényl}sulfonyl)amino]-3-hydroxy-1-phényl-2-butanyl}-N2-{méthyl[(2-méthyl-1,3-thiazol-4-yl)méthyl]carbamoyl}-D-valinamide [French] [ACD/IUPAC Name]

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: 1.641
Molar Refractivity: 189.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2645.76
ACD/KOC (pH 5.5): 9795.23
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2644.52
ACD/KOC (pH 7.4): 9790.63
Polar Surface Area: 201 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 525.3±7.0 cm3

Click to predict properties on the Chemicalize site


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