1-[2-(1-adamantylamino)ethanoyl]-N-[(6-carbamimidoylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-(1-adamantylamino)ethanoyl]-N-[(6-carbamimidoylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-(1-adamantylamino)acetyl]-N-[(6-carbamimidoyl-3-pyridyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-(1-adamantylamino)-1-oxoethyl]-N-[(6-carbamimidoyl-3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-(1-adamantylamino)acetyl]-N-[(6-carbamimidoylpyridin-3-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: 1-[2-(1-adamantylamino)acetyl]-N-[(6-amidino-3-pyridyl)methyl]pyrrolidine-2-carboxamide Formula: C24H34N6O2 MolecularWeight: 438.56576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)C3)C(=O)NCC5=CN=C(C=C5)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)C3)C(=O)NCC5=CN=C(C=C5)C(=N)N

InChI

InChI=1S/C24H34N6O2/c25-22(26)19-4-3-15(12-27-19)13-28-23(32)20-2-1-5-30(20)21(31)14-29-24-9-16-6-17(10-24)8-18(7-16)11-24/h3-4,12,16-18,20,29H,1-2,5-11,13-14H2,(H3,25,26)(H,28,32)