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

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-propanoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-propanoyl-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-propanoylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-propionyl-pyrrolidine-2-carboxamide Formula: C16H22N4O2 MolecularWeight: 302.37148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=O)N1CCC[C@H]1C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H22N4O2/c1-2-14(21)20-9-3-4-13(20)16(22)19-10-11-5-7-12(8-6-11)15(17)18/h5-8,13H,2-4,9-10H2,1H3,(H3,17,18)(H,19,22)/t13-/m0/s1