(2S)-2-Amino-6-[(E)-[(4R,5S)-5-(2-Carboxyethyl)-4-(Carboxymethyl)Tetrahydrothiopyran-3-Ylidene]Amino]Hexanoic Acid

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Formula C16H26N2O6S
IUPAC Name (2s)-2-amino-6-[(e)-[(4r,5s)-5-(2-carboxyethyl)-4-(carboxymethyl)tetrahydrothiopyran-3-ylidene]amino]hexanoic acid
Molecular Mass 374.452 g·mol−1
Heat of Formation -1212.3 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 454.45 Å 3
Surface Area 380.41 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey QSTNGCMYNFNDBP-YKZBZZRRSA-N
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