ChemSpider 2D Image | (3S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)carbamoyl]-4,4-dimethyl-2-oxo-3-pyrrolidinyl [(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamate | C28H37N5O7

(3S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)carbamoyl]-4,4-dimethyl-2-oxo-3-pyrrolidinyl [(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamate

  • Molecular FormulaC28H37N5O7
  • Average mass555.623 Da
  • Monoisotopic mass555.269287 Da
  • ChemSpider ID23268265

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)carbamoyl]-4,4-dimethyl-2-oxo-3-pyrrolidinyl [(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamate [ACD/IUPAC Name]
(3S)-1-[(3,5-Dimethyl-1,2-oxazol-4-yl)carbamoyl]-4,4-dimethyl-2-oxo-3-pyrrolidinyl-[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamat [German] [ACD/IUPAC Name]
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4,4-dimethyl-2-oxopyrrolidin-3-yl [(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}heptan-3-yl]carbamate
[(3S)-1,2-Dioxo-1-{[(1R)-1-phényléthyl]amino}-3-heptanyl]carbamate de (3S)-1-[(3,5-diméthyl-1,2-oxazol-4-yl)carbamoyl]-4,4-diméthyl-2-oxo-3-pyrrolidinyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[1,2-dioxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pentyl]-, (3S)-1-[[(3,5-dimethyl-4-isoxazolyl)amino]carbonyl]-4,4-dimethyl-2-oxo-3-pyrrolidinyl ester [ACD/Index Name]
(S)-1-((3,5-dimethylisoxazol-4-yl)carbamoyl)-4,4-dimethyl-2-oxopyrrolidin-3-yl (S)-1,2-dioxo-1-((R)-1-phenylethylamino)heptan-3-ylcarbamate
CHEMBL381394
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL381394/

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: 1.579
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 32.07
ACD/KOC (pH 5.5): 416.60
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.92
ACD/KOC (pH 7.4): 414.61
Polar Surface Area: 160 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 435.6±5.0 cm3

Click to predict properties on the Chemicalize site


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