3-Hydroxy-N-[(2S,3R)-3-Hydroxy-4-(Isobutyl{[5-(1,2-Oxazol-5-Yl)-2-Thienyl]Sulfonyl}Amino)-1-Phenyl-2-Butanyl]Benzamide

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Properties Simple | Detailed

Formula C28H31N3O6S2
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-[isobutyl-[(5-isoxazol-5-yl-2-thienyl)sulfonyl]amino]propyl]-3-hydroxy-benzamide
Molecular Mass 569.692 g·mol−1
Heat of Formation -615.7 ± 16.7 kJ·mol−1
Dipole Moment 4.59 ± 1.08 D
Volume 664.16 Å 3
Surface Area 466.59 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
InChIKey YMMHVVLAGFSMTG-BJKOFHAPSA-N
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