N-{(2S)-3-[(4-Bromophenyl)(Hydroxy)Phosphoryl]-2-[(3-Phenyl-1,2-Oxazol-5-Yl)Methyl]Propanoyl}-L-α-Glutamyl-L-α-Glutamine

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Properties Simple | Detailed

Formula C29H32BrN4O10P
IUPAC Name (4s)-5-amino-4-[[(2s)-2-[[(2s)-2-[[(4-bromophenyl)-hydroxy-phosphoryl]methyl]-3-(3-phenylisoxazol-5-yl)propanoyl]amino]-4-carboxy-butanoyl]amino]-5-oxo-pentanoic acid
Molecular Mass 707.463 g·mol−1
Heat of Formation -1613.3 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 757.6 Å 3
Surface Area 644.68 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey RXBMEHOLQJITJI-LEOXJPRUSA-N
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Elements C H O N P Br