(2R)-2-[(1R)-1-{[(2R)-2-Hydroxy-2-Phenylacetyl]Amino}-2-Oxoethyl]-5-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-3,6-Dihydro-2H-1,3-Thiazine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H20N6O5S2
IUPAC Name (2r)-2-[(1r)-1-[[(2r)-2-hydroxy-2-phenyl-acetyl]amino]-2-oxo-ethyl]-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-3,6-dihydro-2h-1,3-thiazine-4-carboxylic acid
Molecular Mass 464.519 g·mol−1
Heat of Formation -342.3 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 515.25 Å 3
Surface Area 427.05 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 1.94 ± eV
Point Group Symmetry C1
InChIKey CTWPBVTUYYLUGC-XNRPHZJLSA-N
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