2,3-diaminocarbonyl-5,6-bis(N'-propylcarbamimidoyl)bicyclo[2.2.2]oct-7-ene-4-carboxylic acid

Systemtic Name: 2,3-diaminocarbonyl-5,6-bis(N'-propylcarbamimidoyl)bicyclo[2.2.2]oct-7-ene-4-carboxylic acid Openeye Name: 2,3-dicarbamoyl-5,6-bis(N'-propylcarbamimidoyl)bicyclo[2.2.2]oct-7-ene-4-carboxylic acid CAS Name: 5,6-bis[amino(propylimino)methyl]-2,3-dicarbamoyl-4-bicyclo[2.2.2]oct-7-enecarboxylic acid IUPAC Name: 2,3-dicarbamoyl-5,6-bis(N'-propylcarbamimidoyl)bicyclo[2.2.2]oct-7-ene-4-carboxylic acid Traditional Name: 2,3-dicarbamoyl-5,6-bis(N'-propylamidino)bicyclo[2.2.2]oct-7-ene-4-carboxylic acid Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C1C2C=CC(C1C(=NCCC)N)(C(C2C(=O)N)C(=O)N)C(=O)O)N

Isomeric SMILES

CCCN=C(C1C2C=CC(C1C(=NCCC)N)(C(C2C(=O)N)C(=O)N)C(=O)O)N

InChI

InChI=1S/C19H30N6O4/c1-3-7-24-14(20)10-9-5-6-19(18(28)29,12(10)15(21)25-8-4-2)13(17(23)27)11(9)16(22)26/h5-6,9-13H,3-4,7-8H2,1-2H3,(H2,20,24)(H2,21,25)(H2,22,26)(H2,23,27)(H,28,29)