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

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Properties Simple | Detailed

Formula C35H35BrClN4O10P
IUPAC Name (4s)-5-amino-4-[[(2s)-2-[[(2s)-2-[[(4-bromophenyl)-hydroxy-phosphoryl]methyl]-3-[3-[4-(3-chlorophenyl)phenyl]isoxazol-5-yl]propanoyl]amino]-4-carboxy-butanoyl]amino]-5-oxo-pentanoic acid
Molecular Mass 818.004 g·mol−1
Heat of Formation -1549.5 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 867.88 Å 3
Surface Area 734.25 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey PTUCPHGSAFOJAU-MGONOCMRSA-N
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Elements C Cl H O N P Br