N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexylamino)-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(cyclohexylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O2/c1-15(26-18-6-3-2-4-7-18)22(29)27-13-5-8-19(27)21(28)25-14-16-9-11-17(12-10-16)20(23)24/h9-12,15,18-19,26H,2-8,13-14H2,1H3,(H3,23,24)(H,25,28)