Found 1 result

Search term: OLMDBOVNULDFIT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | S-{5-[(2S)-2-Amino-2-carboxyethyl]-2,3-dihydroxyphenyl}-L-cysteinyl-N-L-gamma-glutamylglycine | C19H26N4O10S

S-{5-[(2S)-2-Amino-2-carboxyethyl]-2,3-dihydroxyphenyl}-L-cysteinyl-N-L-γ-glutamylglycine

  • Molecular FormulaC19H26N4O10S
  • Average mass502.496 Da
  • Monoisotopic mass502.136963 Da
  • ChemSpider ID110667

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Glycine, S-[5-[(2S)-2-amino-2-carboxyethyl]-2,3-dihydroxyphenyl]-L-cysteinyl-N-L-γ-glutamyl- [ACD/Index Name]
S-{5-[(2S)-2-Amino-2-carboxyethyl]-2,3-dihydroxyphenyl}-L-cysteinyl-N-L-γ-glutamylglycin [German] [ACD/IUPAC Name]
S-{5-[(2S)-2-Amino-2-carboxyethyl]-2,3-dihydroxyphenyl}-L-cysteinyl-N-L-γ-glutamylglycine [ACD/IUPAC Name]
S-{5-[(2S)-2-Amino-2-carboxyéthyl]-2,3-dihydroxyphényl}-L-cystéinyl-N-L-γ-glutamylglycine [French] [ACD/IUPAC Name]
(2S)-2-AMINO-5-[(2R)-2-AMINO-3-({5-[(2S)-2-AMINO-2-CARBOXYETHYL]-2,3-DIHYDROXYPHENYL}SULFANYL)-N-(CARBOXYMETHYL)PROPANAMIDO]-5-OXOPENTANOIC ACID
55136-58-8 [RN]
5-S-Glutathionedopa
Glutathionedopa
Glutathionyldopa

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

Density: 1.6±0.1 g/cm3
Boiling Point: 842.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.3±3.0 kJ/mol
Flash Point: 463.3±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 117.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 11
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -5.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 293 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 111.4±5.0 dyne/cm
Molar Volume: 305.3±5.0 cm3

Click to predict properties on the Chemicalize site


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