ChemSpider 2D Image | Benzyl [(1S)-1-(4-{[(3R)-3-{[(benzyloxy)carbonyl]amino}-3-isobutyl-2-oxo-1-pyrrolidinyl]carbamoyl}-1,3-thiazol-2-yl)-3-methylbutyl]carbamate | C33H41N5O6S

Benzyl [(1S)-1-(4-{[(3R)-3-{[(benzyloxy)carbonyl]amino}-3-isobutyl-2-oxo-1-pyrrolidinyl]carbamoyl}-1,3-thiazol-2-yl)-3-methylbutyl]carbamate

  • Molecular FormulaC33H41N5O6S
  • Average mass635.773 Da
  • Monoisotopic mass635.277771 Da
  • ChemSpider ID8659621

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1S)-1-(4-{[(3R)-3-{[(Benzyloxy)carbonyl]amino}-3-isobutyl-2-oxo-1-pyrrolidinyl]carbamoyl}-1,3-thiazol-2-yl)-3-méthylbutyl]carbamate de benzyle [French] [ACD/IUPAC Name]
Benzyl [(1S)-1-(4-{[(3R)-3-{[(benzyloxy)carbonyl]amino}-3-isobutyl-2-oxo-1-pyrrolidinyl]carbamoyl}-1,3-thiazol-2-yl)-3-methylbutyl]carbamate [ACD/IUPAC Name]
Benzyl-[(1S)-1-(4-{[(3R)-3-{[(benzyloxy)carbonyl]amino}-3-isobutyl-2-oxo-1-pyrrolidinyl]carbamoyl}-1,3-thiazol-2-yl)-3-methylbutyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-3-methyl-1-[4-[[[(3R)-3-(2-methylpropyl)-2-oxo-3-[[(phenylmethoxy)carbonyl]amino]-1-pyrrolidinyl]amino]carbonyl]-2-thiazolyl]butyl]-, phenylmethyl ester [ACD/Index Name]
((R)-1-{[2-((S)-1-Benzyloxycarbonylamino-3-methyl-butyl)-thiazole-4-carbonyl]-amino}-3-isobutyl-2-oxo-pyrrolidin-3-yl)-carbamic acid benzyl ester
CHEMBL294615

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: 1.612
Molar Refractivity: 172.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1413.13
ACD/KOC (pH 5.5): 6257.00
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1303.94
ACD/KOC (pH 7.4): 5773.56
Polar Surface Area: 167 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 495.1±5.0 cm3

Click to predict properties on the Chemicalize site


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