ChemSpider 2D Image | N-{(2R)-2-Amino-3-[(4-chlorobenzyl)sulfanyl]propanoyl}-N-[(R)-carboxy(phenyl)methyl]-L-glutamine | C23H26ClN3O6S

N-{(2R)-2-Amino-3-[(4-chlorobenzyl)sulfanyl]propanoyl}-N-[(R)-carboxy(phenyl)methyl]-L-glutamine

  • Molecular FormulaC23H26ClN3O6S
  • Average mass507.987 Da
  • Monoisotopic mass507.123077 Da
  • ChemSpider ID2300229
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

L-Glutamine, N-[(2R)-2-amino-3-[[(4-chlorophenyl)methyl]thio]-1-oxopropyl]-N-[(R)-carboxyphenylmethyl]- [ACD/Index Name]
N-{(2R)-2-Amino-3-[(4-chlorbenzyl)sulfanyl]propanoyl}-N-[(R)-carboxy(phenyl)methyl]-L-glutamin [German] [ACD/IUPAC Name]
N-{(2R)-2-Amino-3-[(4-chlorobenzyl)sulfanyl]propanoyl}-N-[(R)-carboxy(phenyl)methyl]-L-glutamine [ACD/IUPAC Name]
N-{(2R)-2-Amino-3-[(4-chlorobenzyl)sulfanyl]propanoyl}-N-[(R)-carboxy(phényl)méthyl]-L-glutamine [French] [ACD/IUPAC Name]
(2S)-2-AMINO-5-[(2R)-2-AMINO-N-[(R)-CARBOXY(PHENYL)METHYL]-3-{[(4-CHLOROPHENYL)METHYL]SULFANYL}PROPANAMIDO]-5-OXOPENTANOIC ACID
152684-55-4 [RN]
Ggcbcp
Glycine, N-(S-((4-chlorophenyl)methyl)-N-L-γ-glutamyl-L-cysteinyl)-D-2-phenyl-
N-(S-((4-Chlorophenyl)methyl)-N-L-γ-glutamyl-L-cysteinyl)-D-2-phenylglycine
γ-Gln-S-(pclbz)cys-phgly
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Ter-117 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 743.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.6±32.9 °C
Index of Refraction: 1.641
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.82
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 69.7±3.0 dyne/cm
Molar Volume: 357.0±3.0 cm3

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