ChemSpider 2D Image | 4-Nitrophenyl [1-(L-alanyl-L-alanyl-L-prolyl)-2,5-dioxocyclopentyl]isopropylcarbamate | C26H33N5O9

4-Nitrophenyl [1-(L-alanyl-L-alanyl-L-prolyl)-2,5-dioxocyclopentyl]isopropylcarbamate

  • Molecular FormulaC26H33N5O9
  • Average mass559.568 Da
  • Monoisotopic mass559.227844 Da
  • ChemSpider ID4589395

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[1-(L-Alanyl-L-alanyl-L-prolyl)-2,5-dioxocyclopentyl]isopropylcarbamate de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl [1-(L-alanyl-L-alanyl-L-prolyl)-2,5-dioxocyclopentyl]isopropylcarbamate [ACD/IUPAC Name]
4-Nitrophenyl-[1-(L-alanyl-L-alanyl-L-prolyl)-2,5-dioxocyclopentyl]isopropylcarbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxopropyl]-2-pyrrolidinyl]carbonyl]-2,5-dioxocyclopentyl]-N-(1-methylethyl)-, 4-nitrophenyl ester [ACD/Index Name]
144597-19-3 [RN]
4-Nitrophenyl N-(succinyl-alanyl-alanyl-prolylmethyl)-N-isopropylcarbamate
4-NITROPHENYL N-{1-[(2S)-1-[(2S)-2-[(2S)-2-AMINOPROPANAMIDO]PROPANOYL]PYRROLIDINE-2-CARBONYL]-2,5-DIOXOCYCLOPENTYL}-N-ISOPROPYLCARBAMATE
Carbamic aid, (2-(1-(2-((2-(2,5-dioxo-1-pyrrolidinyl)-1-oxopropyl)amino)-1-oxopropyl)-2-pyrrolidinyl)-2-oxoethyl)(1-methylethyl)-, 4-nitrophenyl ester, (2S-(1(R*(R*)),2R*))-
Pci-nsaapm
p-Nitrophenyl N-(succinyl-ala-ala-pro-Me)-N-ipc

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

Density: 1.4±0.1 g/cm3
Boiling Point: 823.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.7±3.0 kJ/mol
Flash Point: 452.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -1.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.65
Polar Surface Area: 202 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 403.1±5.0 cm3

Click to predict properties on the Chemicalize site


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