2-[(Z)-[1-(2-Amino-5H-Thiazol-3-Ium-5-Id-4-Yl)-2-[[(1S,2R)-3-[[3-(1,5-Dihydroxy-4-Oxo-Piperidine-2,3,5,6-Tetraid-2-Yl)Isoxazole-5-Carbonyl]Amino]-1-Formyl-2-(Sulfoamino)Propyl]Amino]-2-Oxo-Ethylidene]Amino]Oxy-2-Methyl-Propanoic Acid

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Properties Simple | Detailed

Formula C22H32N8O13S2+
IUPAC Name 2-[(z)-[1-(2-amino-5h-thiazol-3-ium-5-id-4-yl)-2-[[(1s,2r)-3-[[3-(1,5-dihydroxy-4-oxo-piperidine-2,3,5,6-tetraid-2-yl)isoxazole-5-carbonyl]amino]-1-formyl-2-(sulfoamino)propyl]amino]-2-oxo-ethylidene]amino]oxy-2-methyl-propanoic acid
Molecular Mass 680.665 g·mol−1
Heat of Formation -1398.0 ± 16.7 kJ·mol−1
Dipole Moment 7.05 ± 1.08 D
Volume 695.73 Å 3
Surface Area 574.6 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
InChIKey MKLJWJPVAQBBGA-JWEJNGSPSA-O
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