N-(4-{[(6S)-2-(Hydroxymethyl)-4-Oxo-4,6,7,8-Tetrahydro-1H-Cyclopenta[G]Quinazolin-6-Yl](2-Propyn-1-Yl)Amino}Benzoyl)-L-γ-Glutamyl-D-Glutamic Acid

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Properties Simple | Detailed

Formula C32H33N5O10
IUPAC Name (2r)-2-[[(4s)-4-carboxy-4-[[4-[[(6s)-2-(hydroxymethyl)-4-oxo-7,8-dihydro-6h-cyclopenta[g]quinazolin-1-ium-3-id-6-yl]-prop-2-ynyl-amino]benzoyl]amino]butanoyl]amino]pentanedioic acid
Molecular Mass 647.632 g·mol−1
Heat of Formation -1429.0 ± 16.7 kJ·mol−1
Dipole Moment 6.96 ± 1.08 D
Volume 738.38 Å 3
Surface Area 544.31 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey NVHRBQOZEMFKLD-CUYJMHBOSA-N
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