Found 1 result

Search term: CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](CC[C@H](Cc1ccccc1)NC(=O)OCc1cnco1)Cc1ccccc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N~2~-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenyl-2-hexanyl]-L-valinamide | C37H48N6O5S

N2-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenyl-2-hexanyl]-L-valinamide

  • Molecular FormulaC37H48N6O5S
  • Average mass688.879 Da
  • Monoisotopic mass688.340698 Da
  • ChemSpider ID29404585

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Carbamic acid, N-[(1R,4R)-4-[[(2S)-3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-oxazolylmethyl ester [ACD/Index Name]
N2-(Methyl{[2-(Propan-2-Yl)-1,3-Thiazol-4-Yl]methyl}carbamoyl)-N-[(2r,5r)-5-{[(1,3-Oxazol-5-Ylmethoxy)carbonyl]amino}-1,6-Diphenylhexan-2-Yl]-L-Valinamide
N2-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenyl-2-hexanyl]-L-valinamid [German] [ACD/IUPAC Name]
N2-{[(2-Isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylmethoxy)carbonyl]amino}-1,6-diphenyl-2-hexanyl]-L-valinamide [ACD/IUPAC Name]
N2-{[(2-Isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}-N-[(2R,5R)-5-{[(1,3-oxazol-5-ylméthoxy)carbonyl]amino}-1,6-diphényl-2-hexanyl]-L-valinamide [French] [ACD/IUPAC Name]
Z8Z

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

Density: 1.2±0.1 g/cm3
Boiling Point: 902.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.2±3.0 kJ/mol
Flash Point: 499.5±34.3 °C
Index of Refraction: 1.577
Molar Refractivity: 191.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 4.92
ACD/BCF (pH 5.5): 3220.66
ACD/KOC (pH 5.5): 11276.56
ACD/LogD (pH 7.4): 4.92
ACD/BCF (pH 7.4): 3223.78
ACD/KOC (pH 7.4): 11287.48
Polar Surface Area: 167 Å2
Polarizability: 75.9±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 577.2±3.0 cm3

Click to predict properties on the Chemicalize site


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