N-(3-Methyl-1,4-Dioxo-1,4-Dihydro-2-Naphthalenyl)-γ-Glutamylcysteinylglycine

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Properties Simple | Detailed

Formula C21H23N3O8S
IUPAC Name (2s)-5-[[(1s)-2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-[(3-methyl-1,4-dioxo-2-naphthyl)amino]-5-oxo-pentanoic acid
Molecular Mass 477.488 g·mol−1
Heat of Formation -1279.5 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 554.57 Å 3
Surface Area 408.42 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey QBKWQVMOOFZDRW-UONOGXRCSA-N
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