(2S)-N-[(2R,5S,6S)-5-(D-Alanylamino)-1-(2-Aminophenyl)-2-Formyl-6-Methyl-1,4-Dioxo-3-Phenyl-7-Octen-2-Yl]-N-Methyl-2-Pyrrolidinecarboxamide

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Formula C31H39N5O5
IUPAC Name (2s)-n-[(1r,2r,4s,5s)-1-formyl-1-(2-λ1-azanylbenzene-3,4,5,6-tetraide-1-carbonyl)-4-[[(2r)-2-λ1-azanylpropanoyl]amino]-5-methyl-3-oxo-2-phenyl-hept-6-enyl]-n-methyl-pyrrolidine-2-carboxamide
Molecular Mass 561.672 g·mol−1
Heat of Formation -610.8 ± 16.7 kJ·mol−1
Dipole Moment 6.81 ± 1.08 D
Volume 685.42 Å 3
Surface Area 469.45 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
InChIKey RRKPZYIKFBDXNY-MJIZVHQCSA-N
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