ChemSpider 2D Image | N-[(2S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N~2~-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}valinamide | C37H48N6O5S2

N-[(2S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}valinamide

  • Molecular FormulaC37H48N6O5S2
  • Average mass720.944 Da
  • Monoisotopic mass720.312744 Da
  • ChemSpider ID54917

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

Carbamic acid, N-[(1S,4S)-2-hydroxy-4-[[3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-1-oxobutyl]amino]-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]
N-[(2S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}valinamid [German] [ACD/IUPAC Name]
N-[(2S,5S)-4-Hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}valinamide [ACD/IUPAC Name]
N-[(2S,5S)-4-Hydroxy-1,6-diphényl-5-{[(1,3-thiazol-5-ylméthoxy)carbonyl]amino}-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}valinamide [French] [ACD/IUPAC Name]
((1S,4S)-1-Benzyl-2-hydroxy-4-{2-[3-(2-isopropyl-thiazol-4-ylmethyl)-3-methyl-ureido]-3-methyl-butyrylamino}-5-phenyl-pentyl)-carbamic acid thiazol-5-ylmethyl ester
1,3-thiazol-5-ylmethyl N-[(2S,5S)-3-hydroxy-5-(3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido)-1,6-diphenylhexan-2-yl]carbamate
155213-67-5 [RN]
2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
5-Thiazolylmethyl ((αS)-α-((1S,3S-1-hydroxy-3-((2S)-2-(3-((2-isopropyl-4-thiazolyl)methyl)-3-methylureido)-3-methylbutyramido)-4-phenylbutyl)phenethyl)carbamate
Abbott 84538
More...

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

A-84538 [DBID]
ABT-538 [DBID]
DRG-0244 [DBID]
HSDB 7160 [DBID]
LS-148860 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 947.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.4±3.0 kJ/mol
Flash Point: 526.6±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 198.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4357.80
ACD/KOC (pH 5.5): 14000.30
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4363.16
ACD/KOC (pH 7.4): 14017.54
Polar Surface Area: 202 Å2
Polarizability: 78.9±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 581.7±3.0 cm3

Click to predict properties on the Chemicalize site


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