3-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-[4-(6-morpholin-4-ylhexanoyl)piperazin-1-yl]carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-[4-(6-morpholin-4-ylhexanoyl)piperazin-1-yl]carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-3-piperidyl)methyl]-1-[4-(6-morpholinohexanoyl)piperazine-1-carbonyl]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-3-piperidinyl)methyl]-1-[[4-[6-(4-morpholinyl)-1-oxohexyl]-1-piperazinyl]-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-1-[4-(6-morpholin-4-ylhexanoyl)piperazine-1-carbonyl]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[(1-amidino-3-piperidyl)methyl]-4-keto-1-[4-(6-morpholinohexanoyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C26H43N7O6 MolecularWeight: 549.66292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)C(=O)CCCCCN4CCOCC4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)C(=O)CCCCCN4CCOCC4)C(=O)O

InChI

InChI=1S/C26H43N7O6/c27-25(28)32-8-4-5-19(18-32)17-20-22(24(36)37)33(23(20)35)26(38)31-11-9-30(10-12-31)21(34)6-2-1-3-7-29-13-15-39-16-14-29/h19-20,22H,1-18H2,(H3,27,28)(H,36,37)