(2S,5S,17S,20S,21R)-21-Amino-5-(4-Benzoylbenzyl)-2-[4-(5-Hexynoylamino)Butyl]-20-Hydroxy-17-(2-Naphthylmethyl)-4,7,16,19-Tetraoxo-22-Phenyl-9,12-Dioxa-3,6,15,18-Tetraazadocosan-1-Amide (Non-Preferred Name)

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Properties Simple | Detailed

Formula C57H67N7O10
IUPAC Name (2s)-2-[[(2s)-2-[[2-[2-[2-[[(2s)-2-[[(2s,3r)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-3-(2-naphthyl)propanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-(4-benzoylphenyl)propanoyl]amino]-6-(hex-5-ynoylamino)hexanamide
Molecular Mass 1010.183 g·mol−1
Heat of Formation -1260.7 ± 16.7 kJ·mol−1
Dipole Moment 8.65 ± 1.08 D
Volume 1248.89 Å 3
Surface Area 1018.92 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey DTRONJOHRJXFLK-VGMISYGZSA-N
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