(2E)-2-{[(2S)-2-{[(2Z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-{[(1,5-Dihydroxy-4-Oxo-1,4-Dihydro-2-Pyridinyl)Methoxy]Imino}Acetyl]Amino}-3-Oxopropoxy]Imino}Pentanedioic Acid

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Properties Simple | Detailed

Formula C19H25N6O11S+
IUPAC Name (2e)-2-[(2s)-2-[[(2z)-2-(2-aminothiazol-4-yl)-2-[(1,5-dihydroxy-4-oxo-piperidine-2,3,5,6-tetraid-2-yl)methoxyimino]acetyl]amino]-3-oxo-propoxy]iminopentanedioic acid
Molecular Mass 545.500 g·mol−1
Heat of Formation -1146.5 ± 16.7 kJ·mol−1
Dipole Moment 5.19 ± 1.08 D
Volume 575.45 Å 3
Surface Area 478.62 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey OZMUGJSDFUATCG-ROWSSYOJSA-N
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