Methyl [(2S)-1-{2-[(4R)-5-{[(2S)-1-(Allylamino)-3-Methyl-1-Oxo-2-Butanyl]Amino}-4-(4-Allylbenzyl)-4-Hydroxy-5-Oxopentyl]-2-(4-Biphenylylmethyl)Hydrazino}-3,3-Dimethyl-1-Oxo-2-Butanyl]Carbamate (Non-Pr Eferred Name)

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Properties Simple | Detailed

Formula C44H59N5O6
IUPAC Name methyl n-[(1s)-1-[[[(4r)-5-[[(1s)-1-(allylcarbamoyl)-2-methyl-propyl]amino]-4-[(4-allylphenyl)methyl]-4-hydroxy-5-oxo-pentyl]-[(4-phenylphenyl)methyl]amino]carbamoyl]-2,2-dimethyl-propyl]carbamate
Molecular Mass 753.969 g·mol−1
Heat of Formation -902.8 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 986.13 Å 3
Surface Area 683.48 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 2.89 ± eV
Point Group Symmetry C1
InChIKey VXCLCFNUDTXLDD-NAAHQDJQSA-N
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