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Search term: QSTGMGZXIKRTIF-AEDUHMMZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-valyl-N-(1-carboxy-2-hydroxy-3-heptanyl)-L-valinamide | C26H41N3O7

N-[(Benzyloxy)carbonyl]-L-valyl-N-(1-carboxy-2-hydroxy-3-heptanyl)-L-valinamide

  • Molecular FormulaC26H41N3O7
  • Average mass507.620 Da
  • Monoisotopic mass507.294464 Da
  • ChemSpider ID23166040

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

L-Valinamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[1-(2-carboxy-1-hydroxyethyl)pentyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-(1-carboxy-2-hydroxy-3-heptanyl)-L-valinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-(1-carboxy-2-hydroxy-3-heptanyl)-L-valinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-(1-carboxy-2-hydroxy-3-heptanyl)-L-valinamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-valyl-N-(1-carboxy-2-hydroxyheptan-3-yl)-L-valinamide
3-hydroxy-4-[2-methyl-1-[2-methyl-1-benzyloxycarboxamido-(1S)-propylcarboxamido]-(1S)-propylcarboxamido]octanoic acid
4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido]-3-methylbutanamido]-3-hydroxyoctanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 778.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.8±3.0 kJ/mol
Flash Point: 424.4±32.9 °C
Index of Refraction: 1.527
Molar Refractivity: 134.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 24.09
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 46.2±3.0 dyne/cm
Molar Volume: 437.9±3.0 cm3

Click to predict properties on the Chemicalize site


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