ChemSpider 2D Image | N-Acetylvalyl-N-[1-({1-[(1-carboxy-2-hydroxy-5-methyl-3-hexanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-6-methyl-1-oxo-4-heptanyl]valinamide | C31H57N5O9

N-Acetylvalyl-N-[1-({1-[(1-carboxy-2-hydroxy-5-methyl-3-hexanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-6-methyl-1-oxo-4-heptanyl]valinamide

  • Molecular FormulaC31H57N5O9
  • Average mass643.812 Da
  • Monoisotopic mass643.415649 Da
  • ChemSpider ID1914

More details:

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

N-Acetylvalyl-N-[1-({1-[(1-carboxy-2-hydroxy-5-methyl-3-hexanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-6-methyl-1-oxo-4-heptanyl]valinamid [German] [ACD/IUPAC Name]
N-Acetylvalyl-N-[1-({1-[(1-carboxy-2-hydroxy-5-methyl-3-hexanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-6-methyl-1-oxo-4-heptanyl]valinamide [ACD/IUPAC Name]
N-Acétylvalyl-N-[1-({1-[(1-carboxy-2-hydroxy-5-méthyl-3-hexanyl)amino]-1-oxo-2-propanyl}amino)-3-hydroxy-6-méthyl-1-oxo-4-heptanyl]valinamide [French] [ACD/IUPAC Name]
N-acetylvalyl-N-[1-({1-[(1-carboxy-2-hydroxy-5-methylhexan-3-yl)amino]-1-oxopropan-2-yl}amino)-3-hydroxy-6-methyl-1-oxoheptan-4-yl]valinamide
Valinamide, N-acetylvalyl-N-[4-[[2-[[1-(2-carboxy-1-hydroxyethyl)-3-methylbutyl]amino]-1-methyl-2-oxoethyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]- [ACD/Index Name]
28575-34-0 [RN]
4-(2-{4-[2-(2-Acetylamino-3-methyl-butyrylamino)-3-methyl-butyrylamino]-3-hydroxy-6-methyl-heptanoylamino}-propionylamino)-3-hydroxy-6-methyl-heptanoic acid
Acetyl-pepstatin
Pepstatin, acetyl

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

A4815_SIGMA [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 992.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 164.1±6.0 kJ/mol
Flash Point: 554.2±34.3 °C
Index of Refraction: 1.508
Molar Refractivity: 168.0±0.3 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 0.75
ACD/LogD (pH 5.5): -0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.08
ACD/LogD (pH 7.4): -2.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 563.7±3.0 cm3

Click to predict properties on the Chemicalize site


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