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Search term: XRZNULQNCHFEIW-HJXABITDSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{[(1S)-1-Carboxy-5-({[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}ami no)pentyl]carbamoyl}-L-glutamic acid | C58H98N8O24S

N-{[(1S)-1-Carboxy-5-({[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}ami no)pentyl]carbamoyl}-L-glutamic acid

  • Molecular FormulaC58H98N8O24S
  • Average mass1323.503 Da
  • Monoisotopic mass1322.641479 Da
  • ChemSpider ID58135215

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acide N-{[(1S)-1-carboxy-5-({[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]carbamo yl}amino)pentyl]carbamoyl}-L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[[[(1S)-1-carboxy-5-[[[[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] phenyl]amino]carbonyl]amino]pentyl]amino]carbonyl]- [ACD/Index Name]
N-{[(1S)-1-Carboxy-5-({[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}ami no)pentyl]carbamoyl}-L-glutamic acid [ACD/IUPAC Name]
N-{[(1S)-1-Carboxy-5-({[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}ami no)pentyl]carbamoyl}-L-glutaminsäure [German] [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: 1344.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 212.5±3.0 kJ/mol
Flash Point: 767.1±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 328.8±0.3 cm3
#H bond acceptors: 32
#H bond donors: 11
#Freely Rotating Bonds: 61
#Rule of 5 Violations: 3
ACD/LogP: -6.10
ACD/LogD (pH 5.5): -5.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 439 Å2
Polarizability: 130.3±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 1056.2±3.0 cm3

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