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

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-methoxyethanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-methoxy-1-oxoethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3/c1-23-10-14(21)20-8-2-3-13(20)16(22)19-9-11-4-6-12(7-5-11)15(17)18/h4-7,13H,2-3,8-10H2,1H3,(H3,17,18)(H,19,22)/t13-/m0/s1