Found 1 result

Search term: BWJXSXULCISGDF-CRIRDAMVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-({(1S)-6-(4-Bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-L-glu tamic acid | C57H95BrN6O22S

N-({(1S)-6-(4-Bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-L-glu tamic acid

  • Molecular FormulaC57H95BrN6O22S
  • Average mass1328.360 Da
  • Monoisotopic mass1326.540283 Da
  • ChemSpider ID59053834

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Acide N-({(1S)-6-(4-bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3aS,4S,6aR)-2-oxohexahydro-1H-thiéno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodécaoxa-6,46-diazadopentacont-1-yl}carbamoyl) -L-glutamique [French] [ACD/IUPAC Name]
L-Glutamic acid, N-[(3S)-8-[(4-bromophenyl)methyl]-3-carboxy-54-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1,9,49-trioxo-12,15,18,21,24,27,30,33,36,39,42,45-dodecaoxa-2,8,48-triazate trapentacont-1-yl]- [ACD/Index Name]
N-({(1S)-6-(4-Brombenzyl)-1-carboxy-7,47-dioxo-52-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-L-glut aminsäure [German] [ACD/IUPAC Name]
N-({(1S)-6-(4-Bromobenzyl)-1-carboxy-7,47-dioxo-52-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-10,13,16,19,22,25,28,31,34,37,40,43-dodecaoxa-6,46-diazadopentacont-1-yl}carbamoyl)-L-glu tamic 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: 1292.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 203.0±3.0 kJ/mol
Flash Point: 735.6±34.3 °C
Index of Refraction: 1.532
Molar Refractivity: 321.6±0.3 cm3
#H bond acceptors: 28
#H bond donors: 8
#Freely Rotating Bonds: 59
#Rule of 5 Violations: 3
ACD/LogP: -3.50
ACD/LogD (pH 5.5): -3.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 380 Å2
Polarizability: 127.5±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 1037.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement