Benzyl [(2S)-1-({(2R)-1-[(1S,2S)-2-{[(2R,3S,4S)-3-Formyl-2-Hydroxy-4-Methylhexanoyl]Amino}Cyclopropyl]-4-Phenyl-2-Butanyl}Amino)-1-Oxo-2-Propanyl]Carbamate

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Properties Simple | Detailed

Formula C32H43N3O6
IUPAC Name benzyl n-[(1s)-2-[[(1r)-1-[[(1s,2s)-2-[[(2r,3s,4s)-3-formyl-2-hydroxy-4-methyl-hexanoyl]amino]cyclopropyl]methyl]-3-phenyl-propyl]amino]-1-methyl-2-oxo-ethyl]carbamate
Molecular Mass 565.700 g·mol−1
Heat of Formation -963.0 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 728.13 Å 3
Surface Area 608.64 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
InChIKey BJVKWRUSMPCCJX-WILFWELSSA-N
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