S-[2-({N-[(2R)-2-Hydroxy-4-{[Hydroxy(Oxido)Phosphoranyl]Oxy}-3,3-Dimethylbutanoyl]-β-Alanyl}Amino)Ethyl] Heptanethioate

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Formula C18H35N2O7PS
IUPAC Name [(3r)-4-[[3-(2-heptanoylsulfanylethylamino)-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]phosphinic acid
Molecular Mass 454.518 g·mol−1
Heat of Formation -1728.2 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 556.7 Å 3
Surface Area 491.24 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey IPSBILXXAVXCDA-INIZCTEOSA-N
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