ChemSpider 2D Image | N-{[(1S)-5-({[4-Bromo-2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino )-1-carboxypentyl]carbamoyl}-L-glutamic acid | C58H97BrN8O24S

N-{[(1S)-5-({[4-Bromo-2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino )-1-carboxypentyl]carbamoyl}-L-glutamic acid

  • Molecular FormulaC58H97BrN8O24S
  • Average mass1402.399 Da
  • Monoisotopic mass1400.552002 Da
  • ChemSpider ID58135263

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acide N-{[(1S)-5-({[4-bromo-2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodécaoxa-3,43-diazaoctatétracont-1-yl}oxy)phényl]carbamoyl }amino)-1-carboxypentyl]carbamoyl}-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[[(1S)-5-[[[[4-bromo-2-[[48-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-4,44-dioxo-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl]oxy]ph enyl]amino]carbonyl]amino]-1-carboxypentyl]amino]carbonyl]- [ACD/Index Name]
N-{[(1S)-5-({[4-Brom-2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino) -1-carboxypentyl]carbamoyl}-L-glutaminsäure [German] [ACD/IUPAC Name]
N-{[(1S)-5-({[4-Bromo-2-({4,44-dioxo-48-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-7,10,13,16,19,22,25,28,31,34,37,40-dodecaoxa-3,43-diazaoctatetracont-1-yl}oxy)phenyl]carbamoyl}amino )-1-carboxypentyl]carbamoyl}-L-glutamic acid [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1364.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 216.1±3.0 kJ/mol
Flash Point: 778.9±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 336.5±0.3 cm3
#H bond acceptors: 32
#H bond donors: 11
#Freely Rotating Bonds: 61
#Rule of 5 Violations: 3
ACD/LogP: -4.81
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 439 Å2
Polarizability: 133.4±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 1072.4±3.0 cm3

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