Ethyl (4R)-4-({(2R,5S)-6-Methyl-2-(3-Methyl-2-Buten-1-Yl)-5-[(N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Seryl)Amino]-4-Oxoheptanoyl}Amino)-5-[(3S)-2-Oxo-3-Pyrrolidinyl]Pentanoate

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Formula C32H54N4O9
IUPAC Name ethyl (4r)-4-[[(2r,5s)-5-[[(2s)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoyl]amino]-6-methyl-2-(3-methylbut-2-enyl)-4-oxo-heptanoyl]amino]-5-[(3s)-2-oxopyrrolidin-3-yl]pentanoate
Molecular Mass 638.793 g·mol−1
Heat of Formation -2030.3 ± 16.7 kJ·mol−1
Dipole Moment 5.96 ± 1.08 D
Volume 811.65 Å 3
Surface Area 604.89 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 0.36 ± eV
Point Group Symmetry C1
InChIKey CSVHTXSZRNRRSB-AHPXAKOISA-N
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