1-{[3-({2-[(4-Azido-2-Hydroxybenzoyl)Amino]Ethyl}Disulfanyl)Propanoyl]Oxy}-2,5-Dioxo-3-Pyrrolidinesulfonic Acid

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Formula C16H17N5O9S3
IUPAC Name [(3s)-2,5-dioxo-3-sulfo-pyrrolidin-1-yl] 3-[2-[(4-azido-2-hydroxy-benzoyl)amino]ethyldisulfanyl]propanoate
Molecular Mass 519.529 g·mol−1
Heat of Formation -1045.6 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 539.59 Å 3
Surface Area 412.29 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy 1.73 ± eV
Point Group Symmetry C1
InChIKey XKQYCEFPFNDDSJ-LBPRGKRZSA-N
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