(10S,11R,12S,15S,18S)-15-[(2S)-2-Amino-2-Hydroxyethyl]-10,11,23-Trihydroxy-18-{[(3S)-3-Methyl-2-Oxopentanoyl]Amino}-9,14,17-Trioxo-N-Propyl-8,13,16-Triazatetracyclo[18.3.1.0~2,7~.0~6,10~]Tetracosa-1(24),2,4,6,20,22-Hexaene-12-Carboxamide

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Formula C33H42N6O10
IUPAC Name (10s,11r,12s,15s,18s)-15-[(2s)-2-amino-2-hydroxyethyl]-10,11,23-trihydroxy-18-{[(3s)-3-methyl-2-oxopentanoyl]amino}-9,14,17-trioxo-n-propyl-8,13,16-triazatetracyclo[18.3.1.0 2,7 .0 6,10 ]tetracosa-1(24),2,4,6,20,22-hexaene-12-carboxamide
Molecular Mass 682.721 g·mol−1
Heat of Formation -1763.6 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 805.66 Å 3
Surface Area 583.36 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • 95a
  • a natural proteosome inhibitor from apiospora montagnei
  • tmc-95a
InChIKey MPEYXDRIPSAFLH-ZIFYHTSNSA-N
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