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

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Properties Simple | Detailed

Formula C29H33N3O6S2
IUPAC Name n-[(1s,2r)-1-benzyl-2-hydroxy-3-[(5-isoxazol-5-yl-2-thienyl)sulfonyl-[(2s)-2-methylbutyl]amino]propyl]-3-hydroxy-benzamide
Molecular Mass 583.719 g·mol−1
Heat of Formation -623.6 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 687.18 Å 3
Surface Area 507.57 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey NZSGTDKPVPLULN-KSNOWIBYSA-N
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