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Search term: NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)C[P@@](O)(=O)c1ccc(Br)cc1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | RXP470.1 | C35H35BrClN4O10P

RXP470.1

  • Molecular FormulaC35H35BrClN4O10P
  • Average mass818.004 Da
  • Monoisotopic mass816.096252 Da
  • ChemSpider ID24713404

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-α-Glutamine, N-[(2S)-3-[(4-bromophenyl)hydroxyphosphinyl]-2-[[3-(3'-chloro[1,1'-biphenyl]-4-yl)-5-isoxazolyl]methyl]-1-oxopropyl]-L-α-glutamyl- [ACD/Index Name]
N-[(2S)-3-[(4-Bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chloro-4-biphenylyl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-α-glutamyl-L-α-glutamine [ACD/IUPAC Name]
N-[(2S)-3-[(4-Bromophényl)(hydroxy)phosphoryl]-2-{[3-(3'-chloro-4-biphénylyl)-1,2-oxazol-5-yl]méthyl}propanoyl]-L-α-glutamyl-L-α-glutamine [French] [ACD/IUPAC Name]
N-[(2S)-3-[(4-Bromphenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlor-4-biphenylyl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-α-glutamyl-L-α-glutamin [German] [ACD/IUPAC Name]
RXP470.1
(4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(4-bromophenyl)-hydroxyphosphoryl]methyl]-3-[3-[4-(3-chlorophenyl)phenyl]-1,2-oxazol-5-yl]propanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
4S)-5-amino-4-[[(2S)-2-[[(2S)-2-[[(4-bromophenyl)-hydroxyphosphoryl]methyl]-3-[3-[4-(3-chlorophenyl)phenyl]-1,2-oxazol-5-yl]propanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
891198-31-5 [RN]
N-[(2s)-3-[(S)-(4-Bromophenyl)(Hydroxy)phosphoryl]-2-{[3-(3'-Chlorobiphenyl-4-Yl)-1,2-Oxazol-5-Yl]methyl}propanoyl]-L-α-Glutamyl-L-α-Glutamine
R47
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 1228.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 191.4±3.0 kJ/mol
Flash Point: 696.7±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 191.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 1.51
ACD/LogD (pH 5.5): -3.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 513.7±5.0 cm3

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