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

Systemtic Name: (2S)-1-butanoyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-butanoyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(1-oxobutyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-butanoyl-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-butyryl-pyrrolidine-2-carboxamide Formula: C17H24N4O2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1