Found 1 result

Search term: KSCRVOKQPYZBHZ-IXPOFIJOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide | C33H41N5O6S

N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide

  • Molecular FormulaC33H41N5O6S
  • Average mass635.773 Da
  • Monoisotopic mass635.277771 Da
  • ChemSpider ID29396383

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Leucinamide, N-[(phenylmethoxy)carbonyl]-L-valyl-N-[(1S)-2-(2-benzothiazolyl)-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]ethyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-leucinamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.587
Molar Refractivity: 172.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 187.18
ACD/KOC (pH 5.5): 1471.66
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 187.13
ACD/KOC (pH 7.4): 1471.33
Polar Surface Area: 184 Å2
Polarizability: 68.3±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 512.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement