N-Allyl-N~2~-{(2R)-2-Benzyl-5-[1-(4-Bromobenzyl)-2-{(2S)-2-[(Methoxycarbonyl)Amino]-3,3-Dimethylbutanoyl}Hydrazino]-2-Hydroxypentanoyl}-3-Methyl-L-Valinamide

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Properties Simple | Detailed

Formula C36H52BrN5O6
IUPAC Name methyl n-[(1s)-1-[[[(4r)-5-[[(1s)-1-(allylcarbamoyl)-2,2-dimethyl-propyl]amino]-4-benzyl-4-hydroxy-5-oxo-pentyl]-[(4-bromophenyl)methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 730.732 g·mol−1
Heat of Formation -1091.9 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 879.78 Å 3
Surface Area 600.58 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey SCBLWEFHRVDOAJ-DFNFTQNPSA-N
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Elements H C O Br N