(1S,2R,3S,4R)-2,3-Dihydroxy-4-[5-[[(1R,2S)-2-Phenylcyclopropyl]Amino]-3-Propylsulfanyl-Blahbicyclo[4.3.0]Nona-1(9),3,7-Trien-9-Yl]Cyclopentanecarboxamide

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Formula C22H29N7O3S
IUPAC Name (1s,2r,3s,4r)-2,3-dihydroxy-4-[5-[[(1r,2s)-2-phenylcyclopropyl]amino]-3-propylsulfanyl-blahbicyclo[4.3.0]nona-1(9),3,7-trien-9-yl]cyclopentanecarboxamide
Molecular Mass 471.576 g·mol−1
Heat of Formation -62.5 ± 16.7 kJ·mol−1
Dipole Moment 3.45 ± 1.08 D
Volume 548.68 Å 3
Surface Area 444.54 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
InChIKey JERKNHVSVBYGBB-SSDGSGIASA-O
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