ChemSpider 2D Image | N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3R)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-phenylalaninamide | C37H41N5O6S

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

  • Molecular FormulaC37H41N5O6S
  • Average mass683.816 Da
  • Monoisotopic mass683.277771 Da
  • ChemSpider ID23320397

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-N-[(1S)-2-(2-benzothiazolyl)-2-oxo-1-[[(3R)-2-oxo-3-pyrrolidinyl]methyl]ethyl]- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3R)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3R)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-phenylalaninamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3R)-2-oxo-3-pyrrolidinyl]-2-propanyl}-L-phénylalaninamide [French] [ACD/IUPAC Name]
N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide
benzyl (S)-1-((S)-1-((S)-1-(benzo[d]thiazol-2-yl)-1-oxo-3-((R)-2-oxopyrrolidin-3-yl)propan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL272994/

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: 1.611
Molar Refractivity: 187.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 775.89
ACD/KOC (pH 5.5): 4072.31
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 775.74
ACD/KOC (pH 7.4): 4071.56
Polar Surface Area: 184 Å2
Polarizability: 74.4±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 540.2±3.0 cm3

Click to predict properties on the Chemicalize site


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