1-(2-azanylpropanoyl)-N-(4-carbamimidoylphenyl)-4-cyclohexyl-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanylpropanoyl)-N-(4-carbamimidoylphenyl)-4-cyclohexyl-N-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-(2-aminopropanoyl)-N-(4-carbamimidoylphenyl)-4-cyclohexyl-N-methyl-pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxopropyl)-N-(4-carbamimidoylphenyl)-4-cyclohexyl-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-aminopropanoyl)-N-(4-carbamimidoylphenyl)-4-cyclohexyl-N-methylpyrrolidine-2-carboxamide Traditional Name: 1-alanyl-N-(4-amidinophenyl)-4-cyclohexyl-N-methyl-pyrrolidine-2-carboxamide Formula: C22H33N5O2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(CC1C(=O)N(C)C2=CC=C(C=C2)C(=N)N)C3CCCCC3)N

Isomeric SMILES

CC(C(=O)N1CC(CC1C(=O)N(C)C2=CC=C(C=C2)C(=N)N)C3CCCCC3)N

InChI

InChI=1S/C22H33N5O2/c1-14(23)21(28)27-13-17(15-6-4-3-5-7-15)12-19(27)22(29)26(2)18-10-8-16(9-11-18)20(24)25/h8-11,14-15,17,19H,3-7,12-13,23H2,1-2H3,(H3,24,25)