N-[(4-carbamimidoyl-3-methoxy-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-3-methoxy-phenyl)methyl]-1-[2-(cyclohexylamino)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-3-methoxy-phenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-3-methoxyphenyl)methyl]-1-[2-(cyclohexylamino)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-3-methoxyphenyl)methyl]-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-3-methoxy-benzyl)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)C2CCCN2C(=O)CNC3CCCCC3)C(=N)N

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C2CCCN2C(=O)CNC3CCCCC3)C(=N)N

InChI

InChI=1S/C22H33N5O3/c1-30-19-12-15(9-10-17(19)21(23)24)13-26-22(29)18-8-5-11-27(18)20(28)14-25-16-6-3-2-4-7-16/h9-10,12,16,18,25H,2-8,11,13-14H2,1H3,(H3,23,24)(H,26,29)