N~6~-[Carboxy(4-Carboxy-5-Formyl-3,6-Dihydro-2H-1,3-Thiazin-2-Yl)Methyl]-6-Oxolysine

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Formula C14H19N3O8S
IUPAC Name (2r)-2-[(r)-[[(5s)-5-amino-5-carboxy-pentanoyl]amino]-carboxy-methyl]-5-formyl-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
Molecular Mass 389.381 g·mol−1
Heat of Formation -1360.1 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 429.37 Å 3
Surface Area 379.89 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey GURXGLANODQSQH-BKDNQFJXSA-N
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