3-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-(diethylcarbamoyl)-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-(diethylcarbamoyl)-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-3-piperidyl)methyl]-1-(diethylcarbamoyl)-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-3-piperidinyl)methyl]-1-[diethylamino(oxo)methyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-(diethylcarbamoyl)-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[(1-amidino-3-piperidyl)methyl]-1-(diethylcarbamoyl)-4-keto-azetidine-2-carboxylic acid Formula: C16H27N5O4 MolecularWeight: 353.41668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1C(C(C1=O)CC2CCCN(C2)C(=N)N)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)N1C(C(C1=O)CC2CCCN(C2)C(=N)N)C(=O)O

InChI

InChI=1S/C16H27N5O4/c1-3-19(4-2)16(25)21-12(14(23)24)11(13(21)22)8-10-6-5-7-20(9-10)15(17)18/h10-12H,3-9H2,1-2H3,(H3,17,18)(H,23,24)