(2S)-2-Amino-5-[[(2S,4R)-2-[(S)-Hydroxy-[(4-Nitrophenyl)Methoxy]Methyl]-5,8-Dioxo-Blahcyclooct-4-Yl]Amino]-5-Oxo-Pentanoic Acid; Molecular Hydrogen

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Formula C18H23N4O10S
IUPAC Name (2s)-2-amino-5-[[(2s,4r)-2-[(s)-hydroxy-[(4-nitrophenyl)methoxy]methyl]-5,8-dioxo-blahcyclooct-4-yl]amino]-5-oxo-pentanoic acid; molecular hydrogen
Molecular Mass 489.477 g·mol−1
Heat of Formation -1360.9 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 541.69 Å 3
Surface Area 461.2 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey UFBPMSLCXMIHES-LXIYXOSZSA-N
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