(2R)-2-[(1R)-2-[(2S)-2-Amino-2-Carboxy-Ethoxy]-2-Oxo-1-[[2-[(2R)-Tetrahydrothiophen-2-Yl]Acetyl]Amino]Ethyl]-5-Methylene-2H-1,3-Thiazine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C17H23N3O7S2
IUPAC Name (2r)-2-[(1r)-2-[(2s)-2-amino-2-carboxy-ethoxy]-2-oxo-1-[[2-[(2r)-tetrahydrothiophen-2-yl]acetyl]amino]ethyl]-5-methylene-2h-1,3-thiazine-4-carboxylic acid
Molecular Mass 445.510 g·mol−1
Heat of Formation -1139.5 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 495.38 Å 3
Surface Area 387.39 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey FCBSKCJFRDWCLK-XXSPCDMZSA-N
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