N-{4-[(3R)-6-(2,6-Diamino-4-Oxo-1,4-Dihydro-5-Pyrimidinyl)-1,1,1-Trifluoro-2,2-Dihydroxy-3-Hexanyl]Benzoyl}-L-γ-Glutamyl-L-γ-Glutamyl-L-γ-Glutamyl-L-γ-Glutamyl-L-Glutamic Acid

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Properties Simple | Detailed

Formula C42H54F3N9O20
IUPAC Name (2r)-2-[[(4r)-4-carboxy-4-[[(4r)-4-carboxy-4-[[(4r)-4-carboxy-4-[[(4s)-4-carboxy-4-[[4-[(1s)-4-(2,4-diamino-6-hydroxy-pyrimidin-5-yl)-1-(2,2,2-trifluoro-1,1-dihydroxy-ethyl)butyl]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
Molecular Mass 1061.922 g·mol−1
Heat of Formation -4557.5 ± 16.7 kJ·mol−1
Dipole Moment 11.95 ± 1.08 D
Volume 1158.48 Å 3
Surface Area 895.75 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey IWEGOVKIJZGOSL-QHSXUUMZSA-N
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