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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Links |
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Elements |
H
C
O
N
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