N,N-Dibenzyl-N~5~-[N-(Methylcarbamoyl)Carbamimidoyl]-N~2~-{[5-({[(E)-(4-Quinolinylmethylene)Amino]Oxy}Methyl)-1H-1,2,3-Triazol-1-Yl]Acetyl}-L-Ornithinamide

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Properties Simple | Detailed

Formula C37H41N11O4
IUPAC Name (2s)-5-[[amino-(methylcarbamoylamino)methylidene]amino]-n,n-dibenzyl-2-[[2-[5-[[(e)-quinolin-4-ylmethylideneamino]oxymethyl]triazol-1-yl]acetyl]amino]pentanamide
Molecular Mass 703.793 g·mol−1
Heat of Formation 158.1 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 861.32 Å 3
Surface Area 647.22 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey YASCYEPUKAYRJI-IPZIAFNWSA-N
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