3-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-[4-(3-methylbutan-2-yloxycarbonyl)piperazin-1-yl]carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-[4-(3-methylbutan-2-yloxycarbonyl)piperazin-1-yl]carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-3-piperidyl)methyl]-1-[4-(1,2-dimethylpropoxycarbonyl)piperazine-1-carbonyl]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-3-piperidinyl)methyl]-1-[[4-[3-methylbutan-2-yloxy(oxo)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-[4-(3-methylbutan-2-yloxycarbonyl)piperazine-1-carbonyl]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[(1-amidino-3-piperidyl)methyl]-1-[4-(1,2-dimethylpropoxycarbonyl)piperazine-1-carbonyl]-4-keto-azetidine-2-carboxylic acid Formula: C22H36N6O6 MolecularWeight: 480.55784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)OC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CC3CCCN(C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)C(C)OC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CC3CCCN(C3)C(=N)N)C(=O)O

InChI

InChI=1S/C22H36N6O6/c1-13(2)14(3)34-22(33)26-9-7-25(8-10-26)21(32)28-17(19(30)31)16(18(28)29)11-15-5-4-6-27(12-15)20(23)24/h13-17H,4-12H2,1-3H3,(H3,23,24)(H,30,31)