N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(6-carbamimidoyl-3-pyridyl)methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(6-carbamimidoyl-3-pyridinyl)methyl]-1-[2-(cyclohexylamino)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(6-amidino-3-pyridyl)methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C21H32N6O2 MolecularWeight: 400.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NCC2=CN=C(C=C2)C(=N)N)NC3CCCCC3

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NCC2=CN=C(C=C2)C(=N)N)NC3CCCCC3

InChI

InChI=1S/C21H32N6O2/c1-14(26-16-6-3-2-4-7-16)21(29)27-11-5-8-18(27)20(28)25-13-15-9-10-17(19(22)23)24-12-15/h9-10,12,14,16,18,26H,2-8,11,13H2,1H3,(H3,22,23)(H,25,28)