1-(2-azanyl-3-phenyl-propanoyl)-N-(4-carbamimidoylphenyl)-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-N-(4-carbamimidoylphenyl)-N-methyl-pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-N-(4-carbamimidoylphenyl)-N-methyl-pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-N-(4-carbamimidoylphenyl)-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-N-(4-carbamimidoylphenyl)-N-methylpyrrolidine-2-carboxamide Traditional Name: N-(4-amidinophenyl)-N-methyl-1-phenylalanyl-pyrrolidine-2-carboxamide Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=N)N)C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5O2/c1-26(17-11-9-16(10-12-17)20(24)25)22(29)19-8-5-13-27(19)21(28)18(23)14-15-6-3-2-4-7-15/h2-4,6-7,9-12,18-19H,5,8,13-14,23H2,1H3,(H3,24,25)