ChemSpider 2D Image | (1-{[(2S,3S)-3-(Ethylcarbamoyl)-2-oxiranyl]carbonyl}-2-[(2S)-2-({(2S)-3-methyl-2-[(3-phenylpropanoyl)amino]butanoyl}amino)propanoyl]hydrazino)acetic acid | C25H35N5O8

(1-{[(2S,3S)-3-(Ethylcarbamoyl)-2-oxiranyl]carbonyl}-2-[(2S)-2-({(2S)-3-methyl-2-[(3-phenylpropanoyl)amino]butanoyl}amino)propanoyl]hydrazino)acetic acid

  • Molecular FormulaC25H35N5O8
  • Average mass533.574 Da
  • Monoisotopic mass533.248535 Da
  • ChemSpider ID23135427

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1-{[(2S,3S)-3-(Ethylcarbamoyl)-2-oxiranyl]carbonyl}-2-[(2S)-2-({(2S)-3-methyl-2-[(3-phenylpropanoyl)amino]butanoyl}amino)propanoyl]hydrazino)acetic acid [ACD/IUPAC Name]
(1-{[(2S,3S)-3-(Ethylcarbamoyl)-2-oxiranyl]carbonyl}-2-[(2S)-2-({(2S)-3-methyl-2-[(3-phenylpropanoyl)amino]butanoyl}amino)propanoyl]hydrazino)essigsäure [German] [ACD/IUPAC Name]
(1-{[(2S,3S)-3-(ethylcarbamoyl)oxiran-2-yl]carbonyl}-2-[(2S)-2-({(2S)-3-methyl-2-[(3-phenylpropanoyl)amino]butanoyl}amino)propanoyl]hydrazinyl)acetic acid (non-preferred name)
Acide (1-{[(2S,3S)-3-(éthylcarbamoyl)-2-oxiranyl]carbonyl}-2-[(2S)-2-({(2S)-3-méthyl-2-[(3-phénylpropanoyl)amino]butanoyl}amino)propanoyl]hydrazino)acétique [French] [ACD/IUPAC Name]
(N-((2S,3S)-3-Ethylcarbamoyl-oxiranecarbonyl)-N'-{(S)-2-[(S)-3-methyl-2-(3-phenyl-propionylamino)-butyrylamino]-propionyl}-hydrazino)-acetic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.562
Molar Refractivity: 133.6±0.3 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -0.34
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 411.7±3.0 cm3

Click to predict properties on the Chemicalize site


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