ChemSpider 2D Image | 2-Amino-5-{[(2R)-3-[(2-{[(4S)-4-amino-4-carboxybutanoyl]amino}-3-{[(~13~C)carboxy(~13~C)methyl](~15~N)amino}-3-oxopropyl)disulfanyl]-1-{[(~13~C)carboxy(~13~C)methyl](~15~N)amino}-1-oxo-2-propanyl]amin o}-5-oxopentanoic acid (non-preferred name) | C1613C4H32N415N2O12S2

2-Amino-5-{[(2R)-3-[(2-{[(4S)-4-amino-4-carboxybutanoyl]amino}-3-{[(13C)carboxy(13C)methyl](15N)amino}-3-oxopropyl)disulfanyl]-1-{[(13C)carboxy(13C)methyl](15N)amino}-1-oxo-2-propanyl]amin o}-5-oxopentanoic acid (non-preferred name)

  • Molecular FormulaC1613C4H32N415N2O12S2
  • Average mass618.589 Da
  • Monoisotopic mass618.159424 Da
  • ChemSpider ID58782136

  • defined stereocentres - 2 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-Amino-5-{[(2R)-3-[(2-{[(4S)-4-amino-4-carboxybutanoyl]amino}-3-{[(13C)carboxy(13C)methyl](15N)amino}-3-oxopropyl)disulfanyl]-1-{[(13C)carboxy(13C)methyl](15N)amino}-1-oxo-2-propanyl]amin 
o}-5-oxopentanoic acid (non-preferred name) [ACD/IUPAC Name]
2-Amino-5-{[(2R)-3-[(2-{[(4S)-4-amino-4-carboxybutanoyl]amino}-3-{[(13C)carboxy(13C)methyl](15N)amino}-3-oxopropyl)disulfanyl]-1-{[(13C)carboxy(13C)methyl](15N)amino}-1-oxo-2-propanyl]amin 
o}-5-oxopentansäure (non-preferred name) [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 138.4±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 81.8±3.0 dyne/cm
Molar Volume: 397.7±3.0 cm3

Click to predict properties on the Chemicalize site


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