(2R)-2-[[(2S)-2-[[2-[2-[2-[[(2S)-2-[[(2S,3R)-3-Amino-4-(4-Benzyloxyphenyl)-2-Hydroxy-Butanoyl]Amino]Propanoyl]Amino]Ethoxy]Ethoxy]Acetyl]Amino]-3-(4-Benzoylphenyl)Propanoyl]Amino]-6-(Hex-5-Ynoylamino)Hexanamide

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Properties Simple | Detailed

Formula C54H67N7O11
IUPAC Name (2r)-2-[[(2s)-2-[[2-[2-[2-[[(2s)-2-[[(2s,3r)-3-amino-4-(4-benzyloxyphenyl)-2-hydroxy-butanoyl]amino]propanoyl]amino]ethoxy]ethoxy]acetyl]amino]-3-(4-benzoylphenyl)propanoyl]amino]-6-(hex-5-ynoylamino)hexanamide
Molecular Mass 990.150 g·mol−1
Heat of Formation -1540.9 ± 16.7 kJ·mol−1
Dipole Moment 9.25 ± 1.08 D
Volume 1178.33 Å 3
Surface Area 973.77 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey LWTJZKFAFDMVBX-YFXZLBNMSA-N
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