Homodolastatin 3

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Formula C30H42N8O6S2
IUPAC Name 3-[(11s,17s,20s,23s)-11-sec-butyl-20-isobutyl-2,9,12,18,21-pentaoxo-6,25-dithia-3,10,13,19,22,27,28-heptaazatetracyclo[22.2.1.1 5,8 .0 13,17 ]octacosa-1(26),5(28),7,24(27)-tetraen-23-yl]propanamide
Molecular Mass 674.834 g·mol−1
Heat of Formation -995.3 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 805.79 Å 3
Surface Area 596.06 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey MQRGSRJNNVRQHQ-HWOSLRBASA-N
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