N-{2-Amino-4-[(Hydroxymethyl)(Oxo)Phosphonio]Butanoyl}-L-Alanyl-L-Leucine

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Properties Simple | Detailed

Formula C14H27N3O6P+
IUPAC Name [(3s)-3-amino-4-[[(1s)-2-[[(1s)-1-carboxy-3-methyl-butyl]amino]-1-methyl-2-oxo-ethyl]amino]-4-oxo-butyl]-(hydroxymethyl)-oxo-phosphonium
Molecular Mass 364.354 g·mol−1
Heat of Formation 778.9 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 385.83 Å 3
Surface Area 345.21 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -2.63 ± eV
Point Group Symmetry C1
InChIKey PHPWPNCONZXSLQ-DCAQKATOSA-O
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