(4R,5S,8Z)-8-(2-Amino-1,3-Thiazol-4-Yl)-1-[3-(1,5-Dihydroxy-4-Oxo-1,4-Dihydro-2-Pyridinyl)-1,2-Oxazol-5-Yl]-5-Formyl-11,11-Dimethyl-1,7-Dioxo-4-(Sulfoamino)-10-Oxa-2,6,9-Triazadodec-8-En-12-Oic Acid

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Properties Simple | Detailed

Formula C22H24N8O13S2
IUPAC Name 2-[(z)-[1-(2-aminothiazol-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 672.602 g·mol−1
Heat of Formation 1314.2 ± 16.7 kJ·mol−1
Dipole Moment 19.59 ± 1.08 D
Volume 581.03 Å 3
Surface Area 477.99 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -4.25 ± eV
Point Group Symmetry C1
InChIKey OFOVQVNKWTUULV-NEEHKMPWSA-N
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