N-[(4-carbamimidoyl-2-iodanyl-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-2-iodanyl-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-2-iodo-phenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-2-iodophenyl)methyl]-1-[2-(cyclohexylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-2-iodophenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-2-iodo-benzyl)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Formula: C21H30IN5O2 MolecularWeight: 511.39967

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(=O)N2CCCC2C(=O)NCC3=C(C=C(C=C3)C(=N)N)I

Isomeric SMILES

C1CCC(CC1)NCC(=O)N2CCCC2C(=O)NCC3=C(C=C(C=C3)C(=N)N)I

InChI

InChI=1S/C21H30IN5O2/c22-17-11-14(20(23)24)8-9-15(17)12-26-21(29)18-7-4-10-27(18)19(28)13-25-16-5-2-1-3-6-16/h8-9,11,16,18,25H,1-7,10,12-13H2,(H3,23,24)(H,26,29)