(2R)-1-{4-Carbamimidoyl-N-[(2-Methyl-1,2,3,4-Tetrahydro-7-Isoquinolinyl)Sulfonyl]-L-Phenylalanyl}-4-Methyl-1,2,3,6-Tetrahydro-2-Pyridinecarboxylic Acid

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Formula C27H33N5O5S
IUPAC Name (2r)-1-[(2s)-3-[4-[azanidylidene(λ1-azanyl)methyl]benzene-2,3,5,6-tetraid-1-yl]-2-[[(2r)-2-methyl-3,4-dihydro-1h-isoquinolin-7-yl]sulfonylamino]propanoyl]-4-methyl-3,6-dihydro-2h-pyridine-2-carboxylate
Molecular Mass 539.646 g·mol−1
Heat of Formation -643.5 ± 16.7 kJ·mol−1
Dipole Moment 11.24 ± 1.08 D
Volume 637.57 Å 3
Surface Area 460.97 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey ZDHBBBQAVLNJBL-BJKOFHAPSA-N
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