N-{4-[2-(2-Amino-4-Oxo-4,7-Dihydro-3H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Ethyl]Benzoyl}-D-γ-Glutamyl-L-γ-Glutamyl-D-γ-Glutamyl-L-Glutamic Acid

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Properties Simple | Detailed

Formula C35H42N8O15
IUPAC Name 2-[[4-[[4-[[4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-carboxy-butanoyl]amino]pentanedioic acid
Molecular Mass 814.753 g·mol−1
Heat of Formation 1790.2 ± 16.7 kJ·mol−1
Dipole Moment 14.65 ± 1.08 D
Volume 840.1 Å 3
Surface Area 590.33 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -3.83 ± eV
Point Group Symmetry C1
InChIKey DICHBVJYDUDAIQ-CLAROIROSA-N
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