N-(2,2-Dimethylpropyl)-N~2~-[1H-Indol-3-Yl(Oxo)Acetyl]-L-Asparaginyl-N-(2-Methylbenzyl)-3-(4-Pyridinyl)-L-Alaninamide

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Properties Simple | Detailed

Formula C35H40N6O5
IUPAC Name (2s)-n'-(2,2-dimethylpropyl)-2-[[2-(1h-indol-3-yl)-2-oxo-acetyl]amino]-n-[(1s)-2-(o-tolylmethylamino)-2-oxo-1-(4-pyridylmethyl)ethyl]butanediamide
Molecular Mass 624.729 g·mol−1
Heat of Formation -642.5 ± 16.7 kJ·mol−1
Dipole Moment 1.20 ± 1.08 D
Volume 770.27 Å 3
Surface Area 603.84 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey GXQREPYVKBZJGC-VMPREFPWSA-N
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