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

Systemtic Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[3-cyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(6-carbamimidoyl-3-pyridyl)methyl]-1-[3-cyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(6-carbamimidoyl-3-pyridinyl)methyl]-1-[3-cyclohexyl-1-oxo-2-(sulfamoylamino)propyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[3-cyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-[(6-amidino-3-pyridyl)methyl]-1-[3-cyclohexyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C21H33N7O4S MolecularWeight: 479.59622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C(=N)N)NS(=O)(=O)N

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)C(=N)N)NS(=O)(=O)N

InChI

InChI=1S/C21H33N7O4S/c22-19(23)16-9-8-15(12-25-16)13-26-20(29)18-7-4-10-28(18)21(30)17(27-33(24,31)32)11-14-5-2-1-3-6-14/h8-9,12,14,17-18,27H,1-7,10-11,13H2,(H3,22,23)(H,26,29)(H2,24,31,32)