N-{(2R)-4-(Methylamino)-4-Oxo-2-[4-(Phosphonooxy)Benzyl]Butanoyl}-L-α-Glutamyl-L-Aspartamide

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Properties Simple | Detailed

Formula C21H30N5O11P
IUPAC Name (4s)-5-[[(1s)-3-amino-1-carbamoyl-3-oxo-propyl]amino]-4-[[(2s)-4-(methylamino)-4-oxo-2-[(4-phosphonooxyphenyl)methyl]butanoyl]amino]-5-oxo-pentanoic acid
Molecular Mass 559.464 g·mol−1
Heat of Formation -2381.3 ± 16.7 kJ·mol−1
Dipole Moment 6.02 ± 1.08 D
Volume 629.05 Å 3
Surface Area 527.37 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey NPYWTYXAKSZNLF-QEJZJMRPSA-N
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