Methyl {(2S)-1-[2-(4-Bromobenzyl)-2-{3-[(3R,6S,10Z)-3-Hydroxy-6-(2-Methyl-2-Propanyl)-4,7-Dioxo-5,8-Diazabicyclo[11.2.2]Heptadeca-1(15),10,13,16-Tetraen-3-Yl]Propyl}Hydrazino]-3,3-Dimethyl-1-Oxo-2-Butanyl}Carbamate

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Properties Simple | Detailed

Formula C37H52BrN5O6
IUPAC Name methyl n-[(1s)-1-[[(4-bromophenyl)methyl-[3-[(3z,8s,11r)-8-tert-butyl-11-hydroxy-7,10-dioxo-6,9-diazabicyclo[11.2.2]heptadeca-1(16),3,13(17),14-tetraen-11-yl]propyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 742.743 g·mol−1
Heat of Formation -1044.6 ± 16.7 kJ·mol−1
Dipole Moment 2.45 ± 1.08 D
Volume 879.52 Å 3
Surface Area 601.62 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
InChIKey SFNMYSUIYNOTIA-HIOXXDBGSA-N
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Elements H C Br O N