N-(4-{[(2-Amino-4-Oxo-1,4-Dihydro-6-Quinazolinyl)Methyl](2-Propyn-1-Yl)Amino}Benzoyl)-γ-Glutamyl-γ-Glutamyl-γ-Glutamylglutamic Acid

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Properties Simple | Detailed

Formula C39H44N8O15
IUPAC Name (2r)-2-[[(4s)-4-[[(4s)-4-[[(4s)-4-[[4-[(2-amino-4-oxo-quinazolin-1-ium-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
Molecular Mass 864.811 g·mol−1
Heat of Formation -2375.0 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 992.08 Å 3
Surface Area 816.31 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey SASAWWASHFSVQE-BPXGVECKSA-N
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