(5R,9S,12S,15S,18S,21S)-21-Benzyl-12,18-Bis(Carboxymethyl)-15-Cyclohexyl-1-(9H-Fluoren-9-Yl)-9-Isobutyl-4-Methyl-3,6,10,13,16,19-Hexaoxo-5-Phenyl-2-Oxa-4,8,11,14,17,20-Hexaazadocosan-22-Oic Acid (Non-Preferred Name)

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Formula C56H66N6O13
IUPAC Name (3s)-4-[[(1s)-2-[[(1s)-1-(carboxymethyl)-2-[[(1s)-1-carboxy-2-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-1-cyclohexyl-2-oxo-ethyl]amino]-3-[[(2s)-2-[[(3r)-3-[9h-fluoren-9-ylmethoxycarbonyl(methyl)amino]-2-oxo-3-phenyl-propyl]amino]-4-methyl-pentanoyl]amino]-4-oxo-butanoic acid
Molecular Mass 1031.156 g·mol−1
Heat of Formation -2175.4 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 1272.38 Å 3
Surface Area 956.23 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
InChIKey VHDDRUTXAIHKQU-NXKHAHLZSA-N
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