ChemSpider 2D Image | (1-{[(2R)-2-(2-{[1-(Hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-4-pentenoyl]amino}cyclopentyl)methyl (2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoate | C32H45N3O7

(1-{[(2R)-2-(2-{[1-(Hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-4-pentenoyl]amino}cyclopentyl)methyl (2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoate

  • Molecular FormulaC32H45N3O7
  • Average mass583.716 Da
  • Monoisotopic mass583.325745 Da
  • ChemSpider ID5037599

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1-{[(2R)-2-(2-{[1-(Hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-4-pentenoyl]amino}cyclopentyl)methyl (2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoate [ACD/IUPAC Name]
(1-{[(2R)-2-(2-{[1-(Hydroxymethyl)cyclopentyl]amino}-2-oxoethyl)-4-pentenoyl]amino}cyclopentyl)methyl-(2R)-2-{[(benzyloxy)carbonyl]amino}-4-pentenoat [German] [ACD/IUPAC Name]
(2R)-2-{[(Benzyloxy)carbonyl]amino}-4-penténoate de (1-{[(2R)-2-(2-{[1-(hydroxyméthyl)cyclopentyl]amino}-2-oxoéthyl)-4-pentenoyl]amino}cyclopentyl)méthyle [French] [ACD/IUPAC Name]
4-Pentenoic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, [1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]-1-oxo-4-penten-1-yl]amino]cyclopentyl]methyl ester, (2R)- [ACD/Index Name]
AML1.1_004776
AML1_001464
DDS1_003368

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

Density: 1.2±0.1 g/cm3
Boiling Point: 803.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.4±3.0 kJ/mol
Flash Point: 439.5±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 159.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 321.63
ACD/KOC (pH 5.5): 2169.56
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 321.52
ACD/KOC (pH 7.4): 2168.80
Polar Surface Area: 143 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 53.4±5.0 dyne/cm
Molar Volume: 487.0±5.0 cm3

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