N-[2-Amino-4-(S-Methyl-N-Phosphonosulfonimidoyl)Butanoyl]Alanylalanine

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Properties Simple | Detailed

Formula C11H23N4O8PS
IUPAC Name (2s)-2-[[(2s)-2-[[(2s)-2-amino-4-(n-dihydroxyphosphoryl-s-methyl-sulfonimidoyl)butanoyl]amino]propanoyl]amino]propanoic acid
Molecular Mass 402.361 g·mol−1
Heat of Formation -1783.0 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 449.99 Å 3
Surface Area 370.56 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
InChIKey BLHBHYHQDXRTCR-KGONQNTNSA-N
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