(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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |