(2R)-2-[(1R)-1-{[(2S)-2-Carboxy-2-(4-Hydroxyphenyl)Acetyl]Amino}-1-Methoxy-2-Oxoethyl]-5-Methylene-5,6-Dihydro-2H-1,3-Oxazine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H18N2O9
IUPAC Name (2r)-2-[(1r)-1-[[(2s)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-1-methoxy-2-oxo-ethyl]-5-methylene-2h-1,3-oxazine-4-carboxylic acid
Molecular Mass 406.344 g·mol−1
Heat of Formation -1290.3 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 448.0 Å 3
Surface Area 376.74 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey GOYCBKVVHGALFQ-RZAIGCCYSA-N
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