ChemSpider 2D Image | A-98498 | C32H45N5O3S

A-98498

  • Molecular FormulaC32H45N5O3S
  • Average mass579.796 Da
  • Monoisotopic mass579.324280 Da
  • ChemSpider ID9642158

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

176655-55-3 [RN]
A-98498
Butanamide, N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-3-methyl-2-[[[methyl[[2-(1-methylethyl)-4-thiazolyl]methyl]amino]carbonyl]amino]-, (2S)- [ACD/Index Name]
N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinamid [German] [ACD/IUPAC Name]
N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphenyl-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)carbamoyl}-L-valinamide [ACD/IUPAC Name]
N-[(2S,4S,5S)-5-Amino-4-hydroxy-1,6-diphényl-2-hexanyl]-N2-{[(2-isopropyl-1,3-thiazol-4-yl)méthyl](méthyl)carbamoyl}-L-valinamide [French] [ACD/IUPAC Name]
(2S)?-N-?[(1S,?3S,?4S)?-?4-?amino-?3-?hydroxy-?5-?phenyl-?1-?(phenylmethyl)?pentyl]?-?3-?methyl-?2-?[[[methyl[[2-?(1-?methylethyl)?-?4-?thiazolyl]?methyl]?amino]?carbonyl]?amino]?-?Butanamide
(2S)-N-[(1S,3S,4S)-4-amino-1-(benzyl)-3-hydroxy-5-phenyl-pentyl]-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butyramide
(2S)-N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanamide
(2S)-N-[(1S,3S,4S)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-2-[[[(2-isopropyl-4-thiazolyl)methyl-methylamino]-oxomethyl]amino]-3-methylbutanamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

34F916N28Z [DBID]
UNII:34F916N28Z [DBID]
UNII-34F916N28Z [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: 822.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.2±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 166.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.75
ACD/KOC (pH 7.4): 10.85
Polar Surface Area: 149 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 496.7±3.0 cm3

Click to predict properties on the Chemicalize site


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