ChemSpider 2D Image | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(2R,3S,4S)-1-carboxy-2-methoxy-4-methyl-3-hexanyl]-N-methyl-L-valinamide | C36H51N3O7

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(2R,3S,4S)-1-carboxy-2-methoxy-4-methyl-3-hexanyl]-N-methyl-L-valinamide

  • Molecular FormulaC36H51N3O7
  • Average mass637.806 Da
  • Monoisotopic mass637.372681 Da
  • ChemSpider ID44209265

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,4S,5S)-4-[(2S)-2-[(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoic acid
(3R,4S,5S)-4-[(2S)-2-[(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoic acid
863971-44-2 [RN]
L-Valinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2S)-1-[(1R)-2-carboxy-1-methoxyethyl]-2-methylbutyl]-N-methyl- [ACD/Index Name]
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(2R,3S,4S)-1-carboxy-2-methoxy-4-methyl-3-hexanyl]-N-methyl-L-valinamid [German] [ACD/IUPAC Name]
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(2R,3S,4S)-1-carboxy-2-methoxy-4-methyl-3-hexanyl]-N-methyl-L-valinamide [ACD/IUPAC Name]
N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-N-méthyl-L-valyl-N-[(2R,3S,4S)-1-carboxy-2-méthoxy-4-méthyl-3-hexanyl]-N-méthyl-L-valinamide [French] [ACD/IUPAC Name]
(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-Fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoic acid
(5S,9S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,9-diisopropyl-12-methoxy-4,10-dimethyl-3,6,8-trioxo-2-oxa-4,7,10-triazatetradecan-14-oic acid
CS-14803
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 793.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.0±3.0 kJ/mol
Flash Point: 433.4±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 176.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 7.46
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 1578.15
ACD/KOC (pH 5.5): 2506.94
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 29.63
ACD/KOC (pH 7.4): 47.06
Polar Surface Area: 125 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 557.2±3.0 cm3

Click to predict properties on the Chemicalize site


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